化工网/ CAS号查询/ 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
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
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
InChIKey VIWKEBOLLIEAIL-FBMOWMAESA-N
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
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物化性质
 计算特性
氢键供体数量 10
氢键受体数量 23
重原子数量 53
可旋转化学键数量 21
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

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