Lactoyl-CoA | 1926-57-4

快速询单

中文名称：Lactoyl-CoA

英文名称：Lactyl-CoA

CAS No.：1926-57-4
分子式：C₂₄H₄₀N₇O₁₈P₃S 分子量：839.596787452698

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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

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)

计算特性

氢键供体数量：10
氢键受体数量：23
可旋转化学键数量：21
重原子数量：53
复杂度：1430
疏水参数计算参考值（XlogP）：-5.9
拓扑分子极性表面积：409