1926-57-4

（乳酰辅酶A,Lactyl-CoA）

中文名称：乳酰辅酶A

英文名称： Lactyl-CoA

CAS No.： 1926-57-4

分子式： C₂₄H₄₀N₇O₁₈P₃S

分子量： 839.596787452698

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：乳酰辅酶A结构式

下载该化合物MOL文件：乳酰辅酶AMOL

快速询单

乳酰辅酶A的其他展现形式

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简介

Lactoyl-CoA是一种辅酶，在生物可降解性和生物相容性领域有着广泛的运用。

名称和标识符

InChIKey	VIWKEBOLLIEAIL-FBMOWMAESA-N
Inchi	1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12?,13-,16-,17-,18+,22-/m1/s1
SMILES	S(C(C(C)O)=O)CCNC(CCNC([C@@H](C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OP(O)(O)=O)O)=O)=O

别名信息

- 中文别名 -

[(2R,3R,4R,5R)-5-(6-氨基嘌呤-9-基)-4-羟基-2-[[羟基-[羟基-[(3R)-3-羟基-3-[2-[2-(2-羟基丙酰基硫基)乙基氨基甲酰]乙基氨基甲酰]-2,2-二甲基-丙氧基]磷酰]氧基-磷酰]氧基甲基]四氢呋喃-3-基]氧基膦酸

- 英文别名 -

Coenzyme A,S-(2-hydroxypropanoate)
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-3-[2-[2-(2-hydroxypropanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]ox
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethy
lactoyl-coenzyme A
Lactyl-CoA

S-{(9R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 2-hydroxypropanethioate (non-preferred name)
lactoyl-CoA
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-3-[2-[2-(2-hydroxypropanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Coenzyme A, lactoyl-
2-hydroxypropionyl CoA
2-hydroxypropanoyl CoA
S-(2-hydroxypropanoate
alpha-hydroxypropionyl CoA
alpha-hydroxypropanoyl CoA
S-(2-hydroxypropanoic acid
2-hydroxypropanoyl coenzym
2-hydroxypropanoyl coenzyme A
S-(2-hydroxypropanoate)coenzyme A
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-3-[2-[2-(2-hydro
Coenzyme A, S-(2-hydroxypropanoate)
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15529
S-(2-hydroxypropanoyl)coenzyme A
α-hydroxypropanoyl CoA
α-hydroxypropanoyl coenzyme A
α-hydroxypropionyl CoA
α-hydroxypropionyl coenzyme A
β-Hydroxypropionyl coenzyme A
Lactyl-CoA
Lactoyl-CoA
Lactoyl coenzyme A
Coenzyme A, S-lactate (7CI,8CI)
Lactoyl-CoA
S-(2-(3-((2R)-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-3,3-dimethylbutanamido)propanamido)ethyl) 2-hydroxypropanethioate
CS-0179849
Lactoyl-coenzyme A
9-{5-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
SCHEMBL871694
LMFA07050339
alpha-hydroxypropanoyl coenzyme A
C24H40N7O18P3S
1926-57-4
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-hydroxypropanethioate
C00827
S-(2-Hydroxypropionyl)coenzyme A
alpha-hydroxypropionyl coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
DTXSID30940920
HY-141540
Lactyl-coa
C24-H40-N7-O18-P3-S
CHEBI:15529
9-{5-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
SCHEMBL871694
LMFA07050339
alpha-hydroxypropanoyl coenzyme A
C24H40N7O18P3S
1926-57-4
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-hydroxypropanethioate
Lactoyl-CoA
C00827
S-(2-Hydroxypropionyl)coenzyme A
S-(2-(3-((2R)-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-3,3-dimethylbutanamido)propanamido)ethyl) 2-hydroxypropanethioate
alpha-hydroxypropionyl coenzyme A
CS-0179849
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Lactoyl-coenzyme A
DTXSID30940920
9-{5-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
HY-141540
SCHEMBL871694
Lactyl-coa
LMFA07050339
C24-H40-N7-O18-P3-S
alpha-hydroxypropanoyl coenzyme A
CHEBI:15529
C24H40N7O18P3S
1926-57-4
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-hydroxypropanethioate
C00827
S-(2-Hydroxypropionyl)coenzyme A
alpha-hydroxypropionyl coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
DTXSID30940920
HY-141540
Lactyl-coa
C24-H40-N7-O18-P3-S
CHEBI:15529
Lactoyl coenzyme A

物化性质

计算特性

精确分子量	839.13633962g/mol
氢键供体数量	10
氢键受体数量	23
可旋转化学键数量	21
同位素质量	839.13633962g/mol
重原子数量	53
复杂度	1430
同位素原子数量	0
确定原子立构中心数量	5
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）	-5.9
拓扑分子极性表面积	409