1926-57-4 (乳酰辅酶A,Lactyl-CoA)

CAS号:
1926-57-4
中文名称:
乳酰辅酶A
英文名称:
Lactyl-CoA
分子式:
C24H40N7O18P3S
分子量:
839.596787452698
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。

乳酰辅酶A(1926-57-4)名称与标识符

名称

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;L-乳酰辅酶A;
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);http://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);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;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;C24-H40-N7-O18-P3-S;CHEBI:15529;Lactoyl coenzyme A;

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

乳酰辅酶A(1926-57-4)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

乳酰辅酶A(1926-57-4)推荐厂家 更多厂家(3)

公司名称手机号/电话联系人QQ微信询单
上海楷森生物科技有限公司 17558870519
175-58870519
赵经理 3003926540
询单
湖北瑞玛标物科技有限公司 15787879035叶栋伟 2463384341 询单
湖北瑞玛标物科技有限公司 15787879035叶栋伟 2463384341 询单

乳酰辅酶A(1926-57-4)合成路线

合成路线:2 步
反应条件:
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