960化工网/ 化工词典/ Lactoyl-CoA | 1926-57-4

Lactoyl-CoA | 1926-57-4

Lactoyl-CoA结构式图片|1926-57-4结构式图片
中文名称:Lactoyl-CoA
英文名称:Coenzyme A, S-(2-hydroxypropanoate)
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:Lactoyl-CoA结构式
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Lactoyl-CoA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
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- 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
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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
合成路线

合成路线:2 步

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参考文献 :
Quantification of lactoyl-CoA (lactyl-CoA) by liquid chromatography mass spectrometry in mammalian cells and tissues
By Varner, Erika L. et al, Open Biology, 2020, 10(9), 200187


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