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辅酶 A | 85-61-0

辅酶 A
Coenzyme A
85-61-0
C21H36N7O16P3S
767.53
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:辅酶 A结构式
87642
简介
Coenzyme A 是一种普遍存在的必要辅助因子,是柠檬酸循环和脂肪酸代谢的酰基载体和羰基活化基。辅酶 A 在包括短链和长链脂肪酸在内的羧酸的代谢中起着核心作用。
名称和标识符
MDL MFCD24368566
InChIKey RGJOEKWQDUBAIZ-IBOSZNHHSA-N
Inchi InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
SMILES CC(COP(O)(OP(O)(OC[C@](O1)([H])[C@](OP(O)(O)=O)([H])[C@](O)([H])[C@]1([H])N2C=NC(C2=NC=N3)=C3N)=O)=O)(C(O)([H])/C(O)=N/CC/C(O)=N/CCS)C
别名信息
- 中文别名 -
  • 辅酶 A
  • 辅酶 A 水合物
  • 辅酶A水合物(游离酸)
  • Coenzyme A hydrate 辅酶A
  • 辅酶 A(COA)
  • 辅酶 A,BR
  • 辅酶 A水合物(来源于酵母)
  • 辅酶A 辅酶甲
  • 辅酶A,游离酸(纯品)
  • 4-氨基嘧啶并咪唑
  • COASH,辅酶甲
  • 辅酶A,不含酸
  • 辅酶甲
  • 辅酶甲,CO-A
  • 辅酶A
- 英文别名 -
  • Coenzyme A
  • CoA
  • Coenzyme A hydrate
  • COENZYME A FREE ACID TRIHYDRATE
  • Coenzyme A hydrate (free acid)
  • Coenzyme A, Free acid
  • Aluzime
  • Coalip
  • COA-SH
  • CONENZYME A
  • Lucina
  • Thiol-CoA
  • Aluzime
  • Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[3-hydroxy-4-[[3-[(2- mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester, (R)-
  • Adenosine 5'-(trihydrogen diphosphate) 3'-(dihydrogen phosphate) P'-[(R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3- oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester
  • Thiol-CoA
  • Reduced CoA
  • Lucina
  • D-Coenzyme A
  • Coenzyme ASH
  • Coalip
  • CoA-SH
  • CoA
  • C21H36N7O16P3S
  • C21H36N7O16P3S
  • C21H36N7O16P3S
  • C21H36N7O16P3S
  • GTPL3044
  • D-Coenzyme A
  • GTPL3044
  • GTPL3044
  • GTPL3044
  • GTPL3044
  • D-Coenzyme A
  • AKOS025310810
  • D-Coenzyme A
  • D-Coenzyme A
  • D-Coenzyme A
  • AKOS025310810
  • co-A
  • AKOS025310810
  • AKOS025310810
  • co-A
  • CoA-SH
  • AKOS025310810
  • co-A
  • CoA-SH
  • co-A
  • CoASH
  • CoASH
  • CoA-SH
  • CoA-SH
  • SCHEMBL18180012
  • co-A
  • SCHEMBL18180012
  • CoASH
  • Phosphoteric T-C6
  • CoASH
  • CoA-SH
  • Phosphoteric T-C6
  • SCHEMBL18180012
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
  • SCHEMBL18180012
  • EINECS 201-619-0
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
  • Phosphoteric T-C6
  • CoASH
  • Phosphoteric T-C6
  • S-propanoate CoA
  • EINECS 201-619-0
  • C00010
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
  • SCHEMBL18180012
  • S-propanoate CoA
  • DB01992
  • EINECS 201-619-0
  • EINECS 201-619-0
  • Phosphoteric T-C6
  • C00010
  • Adenosine 5'-(trihydrogen diphosphate) 3'-(dihydrogen phosphate) P'-[(R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester
  • S-propanoate CoA
  • S-propanoate CoA
  • S-propionate CoA
  • DB01992
  • C00010
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
  • 85-61-0 (anhydrous)
  • SAA04E81UX
  • Adenosine 5'-(trihydrogen diphosphate) 3'-(dihydrogen phosphate) P'-[(R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester
  • DB01992
  • EINECS 201-619-0
  • C00010
  • Coenzyme ASH
  • S-propionate CoA
  • Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester, (R)-
  • Adenosine 5'-(trihydrogen diphosphate) 3'-(dihydrogen phosphate) P'-[(R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester
  • 85-61-0 (anhydrous)
  • DB01992
  • COENZYME A [WHO-DD]
  • S-propanoate CoA
  • SAA04E81UX
  • Zeel
  • S-propionate CoA
  • Adenosine 5'-(trihydrogen diphosphate) 3'-(dihydrogen phosphate) P'-[(R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester
  • Coenzyme ASH
  • C00010
  • coenzymes A
  • 85-61-0 (anhydrous)
  • Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester, (R)-
  • S-propionate CoA
  • BDBM50367033
  • SAA04E81UX
  • DB01992
  • COENZYME A [WHO-DD]
  • 4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-N-((Z)-3-hydroxy-3-((2-mercaptoethyl)imino)propyl)-3,3-dimethylbutanimidic acid
  • 85-61-0 (anhydrous)
  • Coenzyme ASH
  • Zeel
  • Adenosine 5'-(trihydrogen diphosphate) 3'-(dihydrogen phosphate) P'-[(R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester
  • Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester, (R)-
  • coenzymes A
  • 9H-purin-6-amine,9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-
  • SAA04E81UX
  • S-propionate CoA
  • C21-H36-N7-O16-P3-S
  • BDBM50367033
  • COENZYME A [WHO-DD]
  • Coenzyme ASH
  • Coenzyme A-SH
  • 4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-N-((Z)-3-hydroxy-3-((2-mercaptoethyl)imino)propyl)-3,3-dimethylbutanimidic acid
  • 85-61-0 (anhydrous)
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl 3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
  • Zeel
  • 9H-purin-6-amine,9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-
  • Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester, (R)-
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
  • SAA04E81UX
  • coenzymes A
  • C21-H36-N7-O16-P3-S
  • Coenzym A
  • Coenzyme A-SH
  • BDBM50367033
  • COENZYME A [WHO-DD]
  • Coenzyme ASH
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl 3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
  • 4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-N-((Z)-3-hydroxy-3-((2-mercaptoethyl)imino)propyl)-3,3-dimethylbutanimidic acid
  • Zeel
  • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) 3'-(DIHYDROGEN PHOSPHATE) P'-((R)-3-HYDROXY-4-((3-((2-MERCAPTOETHYL)AMINO)-3-OXOPROPYL)AMINO)-2,2-DIMETHYL-4-OXOBUTYL) ESTER
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
  • 9H-purin-6-amine,9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-
  • Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester, (R)-
  • coenzymes A
  • CHEMBL1213327
  • Coenzym A
  • C21-H36-N7-O16-P3-S
  • BDBM50367033
  • EN300-20600009
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
  • COENZYME A [WHO-DD]
  • Coenzyme A-SH
  • 4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-N-((Z)-3-hydroxy-3-((2-mercaptoethyl)imino)propyl)-3,3-dimethylbutanimidic acid
  • RGJOEKWQDUBAIZ-IBOSZNHHSA-N
  • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) 3'-(DIHYDROGEN PHOSPHATE) P'-((R)-3-HYDROXY-4-((3-((2-MERCAPTOETHYL)AMINO)-3-OXOPROPYL)AMINO)-2,2-DIMETHYL-4-OXOBUTYL) ESTER
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl 3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
  • 9H-purin-6-amine,9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-
  • Zeel
  • CHEMBL1213327
  • CoA hydrate
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
  • C21-H36-N7-O16-P3-S
  • Koenzym A
  • EN300-20600009
  • coenzymes A
  • Coenzym A
  • RGJOEKWQDUBAIZ-IBOSZNHHSA-N
  • S-propanoate
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
  • COENZYME A [HPUS]
  • BDBM50367033
  • CoA hydrate
  • Coenzyme A-SH
  • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) 3'-(DIHYDROGEN PHOSPHATE) P'-((R)-3-HYDROXY-4-((3-((2-MERCAPTOETHYL)AMINO)-3-OXOPROPYL)AMINO)-2,2-DIMETHYL-4-OXOBUTYL) ESTER
  • COENZYME A [MART.]
  • Koenzym A
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl 3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
  • CHEMBL1213327
  • 4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-N-((Z)-3-hydroxy-3-((2-mercaptoethyl)imino)propyl)-3,3-dimethylbutanimidic acid
  • MCC2008
  • S-propanoate
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
  • EN300-20600009
  • 143180-18-1
  • COENZYME A [HPUS]
  • Coenzym A
  • 9H-purin-6-amine,9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-
  • RGJOEKWQDUBAIZ-IBOSZNHHSA-N
  • COENZYME A [INCI]
  • COENZYME A [MART.]
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
  • CoA hydrate
  • Reduced CoA
  • MCC2008
  • C21-H36-N7-O16-P3-S
  • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) 3'-(DIHYDROGEN PHOSPHATE) P'-((R)-3-HYDROXY-4-((3-((2-MERCAPTOETHYL)AMINO)-3-OXOPROPYL)AMINO)-2,2-DIMETHYL-4-OXOBUTYL) ESTER
  • Koenzym A
  • Co-A-SH
  • 143180-18-1
  • CHEMBL1213327
  • S-propanoate
  • Coenzyme A-SH
  • S-propionate Coenzyme A
  • COENZYME A [INCI]
  • EN300-20600009
  • COENZYME_A
  • COENZYME A [HPUS]
  • Reduced CoA
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl 3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
  • co-enzyme-A
  • RGJOEKWQDUBAIZ-IBOSZNHHSA-N
  • COENZYME A [MART.]
  • Co-A-SH
  • Depot-Zeel
  • CoA hydrate
  • MCC2008
  • S-propionate Coenzyme A
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
  • (((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy((R)-3-hydroxy-2,2-dimethyl-3-((2-((2-sulfanylethyl)carbamoyl)ethyl)carbamoyl)propoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)oxolan-3-yl)oxy)phosphonic acid
  • Koenzym A
  • 143180-18-1
  • COENZYME_A
  • Coenzym A
  • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), 3'-(DIHYDROGEN PHOSPHATE), P'-(3-HYDROXY-4-((3-((2-MERCAPTOETHYL)AMINO)-3-OXOPROPYL)AMINO)-2,2-DIMETHYL-4-OXOBUTYL) ESTER, (R)-
  • S-propanoate
  • COENZYME A [INCI]
  • co-enzyme-A
  • coenzyme A
  • Reduced CoA
  • Depot-Zeel
  • COENZYME A [HPUS]
  • 85-61-0
  • Co-A-SH
  • (((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy((R)-3-hydroxy-2,2-dimethyl-3-((2-((2-sulfanylethyl)carbamoyl)ethyl)carbamoyl)propoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)oxolan-3-yl)oxy)phosphonic acid
  • COENZYME A [MART.]
  • CHEBI:15346
  • S-propionate Coenzyme A
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
  • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), 3'-(DIHYDROGEN PHOSPHATE), P'-(3-HYDROXY-4-((3-((2-MERCAPTOETHYL)AMINO)-3-OXOPROPYL)AMINO)-2,2-DIMETHYL-4-OXOBUTYL) ESTER, (R)-
  • A904100
  • MCC2008
  • COENZYME_A
  • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) 3'-(DIHYDROGEN PHOSPHATE) P'-((R)-3-HYDROXY-4-((3-((2-MERCAPTOETHYL)AMINO)-3-OXOPROPYL)AMINO)-2,2-DIMETHYL-4-OXOBUTYL) ESTER
  • coenzyme A
  • coenzyme-A
  • co-enzyme-A
  • 143180-18-1
  • CHEMBL1213327
  • 85-61-0
  • CS-0100923
  • Depot-Zeel
  • COENZYME A [INCI]
  • EN300-20600009
  • CHEBI:15346
  • S-propanoic acid
  • (((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy((R)-3-hydroxy-2,2-dimethyl-3-((2-((2-sulfanylethyl)carbamoyl)ethyl)carbamoyl)propoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)oxolan-3-yl)oxy)phosphonic acid
  • Reduced CoA
  • RGJOEKWQDUBAIZ-IBOSZNHHSA-N
  • A904100
  • UNII-SAA04E81UX
  • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), 3'-(DIHYDROGEN PHOSPHATE), P'-(3-HYDROXY-4-((3-((2-MERCAPTOETHYL)AMINO)-3-OXOPROPYL)AMINO)-2,2-DIMETHYL-4-OXOBUTYL) ESTER, (R)-
  • Co-A-SH
  • coenzyme-A
  • CoA hydrate
  • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl] hydrogen phosphate
  • coenzyme A
  • S-propionate Coenzyme A
  • CS-0100923
  • Koenzym A
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • 85-61-0
  • S-propanoic acid
  • COENZYME_A
  • S-propanoate
  • COENZYME A [MI]
  • CHEBI:15346
  • UNII-SAA04E81UX
  • COENZYME A [HPUS]
  • D0W3NA
  • A904100
  • co-enzyme-A
  • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl] hydrogen phosphate
  • HSCoA
  • COENZYME A [MART.]
  • coenzyme-A
  • Depot-Zeel
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • 3'-phosphoadenosine-(5')diphospho(4')pantatheine
  • MCC2008
  • CS-0100923
  • (((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy((R)-3-hydroxy-2,2-dimethyl-3-((2-((2-sulfanylethyl)carbamoyl)ethyl)carbamoyl)propoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)oxolan-3-yl)oxy)phosphonic acid
  • S-propanoate Coenzyme A
  • COENZYME A [MI]
  • S-propanoic acid
  • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), 3'-(DIHYDROGEN PHOSPHATE), P'-(3-HYDROXY-4-((3-((2-MERCAPTOETHYL)AMINO)-3-OXOPROPYL)AMINO)-2,2-DIMETHYL-4-OXOBUTYL) ESTER, (R)-
  • HY-128851
  • D0W3NA
  • UNII-SAA04E81UX
  • 143180-18-1
  • coenzyme A
  • HS-CoA
  • HSCoA
  • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl] hydrogen phosphate
  • COENZYME A [INCI]
  • 85-61-0
  • 3'-phosphoadenosine-(5')diphospho(4')pantatheine
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • Reduced CoA
  • CHEBI:15346
  • S-propanoate Coenzyme A
  • COENZYME A [MI]
  • A904100
  • Co-A-SH
  • HY-128851
  • D0W3NA
  • coenzyme-A
  • HS-CoA
  • S-propionate Coenzyme A
  • HSCoA
  • 3'-phosphoadenosine-(5')diphospho(4')pantatheine
  • COENZYME_A
  • CS-0100923
  • S-propanoate Coenzyme A
  • co-enzyme-A
  • S-propanoic acid
  • HY-128851
  • Depot-Zeel
  • UNII-SAA04E81UX
  • HS-CoA
  • (((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy((R)-3-hydroxy-2,2-dimethyl-3-((2-((2-sulfanylethyl)carbamoyl)ethyl)carbamoyl)propoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)oxolan-3-yl)oxy)phosphonic acid
  • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl] hydrogen phosphate
  • ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), 3'-(DIHYDROGEN PHOSPHATE), P'-(3-HYDROXY-4-((3-((2-MERCAPTOETHYL)AMINO)-3-OXOPROPYL)AMINO)-2,2-DIMETHYL-4-OXOBUTYL) ESTER, (R)-
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • coenzyme A
  • COENZYME A [MI]
  • 85-61-0
  • D0W3NA
  • CHEBI:15346
  • HSCoA
  • 3'-phosphoadenosine-(5')diphospho(4')pantatheine
  • A904100
  • S-propanoate Coenzyme A
  • coenzyme-A
  • CS-0100923
  • HY-128851
  • S-propanoic acid
  • HS-CoA
  • UNII-SAA04E81UX
  • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl] hydrogen phosphate
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • COENZYME A [MI]
  • D0W3NA
  • HSCoA
  • 3'-phosphoadenosine-(5')diphospho(4')pantatheine
  • S-propanoate Coenzyme A
  • HY-128851
  • HS-CoA
  • MeSH ID: D003065
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)
  • COENZYME A
物化性质
实验特性
LogP -0.30230
PSA 414.79000
Merck 13,2491
颜色与性状 白色粉末。有特殊的硫醇气味。有吸湿性。可在五氧化磷真空干燥器内于34℃干燥。在空气中易氧化成无活性的二硫化物。
溶解性 溶于水,不溶于乙醇、乙醚和丙酮
酸度系数(pKa) 9.6 (thiol); pK 6.4 (secondary phosphate); pK 4.0 (adenine NH3+)
计算特性
精确分子量 767.11500
氢键供体数量 9
氢键受体数量 23
可旋转化学键数量 20
同位素质量 767.11521025g/mol
重原子数量 48
复杂度 1270
同位素原子数量 0
确定原子立构中心数量 4
不确定原子立构中心数量 1
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -5.8
互变异构体数量 12
表面电荷 0
拓扑分子极性表面积 347
国际标准相关数据
EINECS 201-619-0
合成路线

合成路线:13 步

反应条件:
参考文献:
An Efficient Chemoenzymatic Synthesis of Coenzyme A and Its Disulfide
By Mouterde, Louis M. M. and Stewart, Jon D., Organic Process Research & Development, 2016, 20(5), 954-959

合成路线:4 步

反应条件:
参考文献:
One-pot chemo-enzymatic synthesis of reporter-modified proteins
By Worthington, Andrew S. and Burkart, Michael D., Organic & Biomolecular Chemistry, 2006, 4(1), 44-46

合成路线:1 步

反应条件:
参考文献:
The Mechanisms of Human Hotdog-fold Thioesterase 2 (hTHEM2) Substrate Recognition and Catalysis Illuminated by a Structure and Function Based Analysis
By Cao, Jian et al, Biochemistry, 2009, 48(6), 1293-1304
相关文献
专业数据库参考
PubChemId 87642
化合物详情(旧版)

辅酶A的物理化学性质

性状:透明金色液体带有一种恶臭
密度:1.1335 g/cm3 (20ºC)
熔点:-5ºC
沸点:146 - 147
折射率:1.53 (20ºC)

辅酶A的用途

辅酶。是调节糖;脂肪及蛋白质代谢的重要因子。用于白细胞减少症、原发性血小板减少性紫癜及功能性低热。并用于脂肪肝、肝炎、肝昏迷、冠状动脉硬化、心肌梗死、肾病综合征、尿毒症、新生儿缺氧、糖尿病和酸中毒等;并用于放射性损害的保护,延缓肌萎缩的发展等。

化学品安全说明书(MSDS)

【急救措施】
吸入:请将患者移到新鲜空气处。 如果停止了呼吸,给于人工呼吸。 请教医生。
皮肤接触:用肥皂和大量的水冲洗。 请教医生。
眼睛接触:用大量水彻底冲洗至少15分钟并请教医生。
误服:切勿给失去知觉者从嘴里喂食任何东西。 用水漱口。 请教医生。

【消防措施】
灭火介质:灭火方法及灭火剂;用水雾,耐醇泡沫,干粉或二氧化碳灭火。
救火人员的预防:如必要的话,戴自给式呼吸器去救火。

【泄露应急处理】
人员的预防,防护设备和紧急处理程序:  防止粉尘的生成。 防止吸入蒸汽、气雾或气体。
环境预防措施:不要让产物进入下水道。
抑制和清除溢出物的方法和材料:  扫掉和铲掉。 存放进适当的闭口容器中待处理。

储运特性

在有粉尘生成的地方,提供合适的排风设备。
贮存在阴凉处。 容器保持紧闭,储存在干燥通风处。
建议的贮存温度: -20 °C


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