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Lactoyl-CoA

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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

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)
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