S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~- diphosphaheptadecan-17-yl} 2-propenethioate（CAS号：5776-58-9）

Acrylyl-CoA

基本信息

在编辑器中查看

CAS号

5776-58-9

分子式

C24H38N7O17P3S

分子量

821.6 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品醚类

基础化工原料有机化学品胺类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

农用化学品农药杀虫剂

实验室化学品科研化学品生化试剂

基本物理性质

SMILES

在编辑器中查看

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=C)O

InChI

InChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1

InChIKey

POODSGUMUCVRTR-IEXPHMLFSA-N

LogP

-1.1492999999999962

拓扑极性表面积

363.62999999999994 Å²

氢键供体/受体

10 / 24

复杂度

1430

同义词与引用数据

英文

Acryloyl-coenzyme A
Coenzyme A S-2-propenoic acid
Coenzyme A S-2-propenoate
Acryloyl-CoA
Acrylyl coenzyme A
PV7BP6Q8B6
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(prop-2-enoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
C24H38N7O17P3S
Acryloyl CoA
CoA S-acrylate
Propenoyl-CoA
5776-58-9
LMFA07050282
SCHEMBL50699
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] prop-2-enethioate
C24-H38-N7-O17-P3-S
S-(2-(3-((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) PROP-2-ENETHIOATE
POODSGUMUCVRTR-IEXPHMLFSA-N
CoA S-2-propenoate
Acrylyl-Coenzyme A
S-[2-[3-[[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] prop-2-enethioate
Coenzyme A S-acrylate
Q27089495
2-propenyl-CoA
CHEBI:15513
Thioacrylic acid S-ester with coenzyme A
Acryloyl coenzyme A
Coenzyme A, acryloyl-
UNII-PV7BP6Q8B6
C00894
CoA S-2-propenoic acid

常见问题

什么是Acrylyl-CoA(CAS号：5776-58-9)？

Acrylyl-CoA（丙烯酰辅酶A）是一种化合物，其英文名称为S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-propenethioate，CAS号：5776-58-9。该化合物具有复杂的分子结构，包含多种官能团，如氨基、羟基、磷酰基等。