Succinyl CoA

HCID 92133CAS 604-98-8

基本情報

標準SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O
InChIKey: VNOYUJKHFWYWIR-ITIYDSSPSA-N
分子式: C25H40N7O19P3S
平均分子量: 867.6 g/mol
単同位体質量: 867.13125295

概要

Succinyl-CoA is an -carboxyacyl-CoA having succinoyl as the S-acyl component. It has a role as an inhibitor, a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a coenzyme A. It is a conjugate acid of a succinyl-CoA(5-).

名称と識別子

優先名称: Succinyl CoA
IUPAC: 4-[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]ethylsulfanyl]-4-oxobutanoic acid

名称と別名

succinyl-CoASuccinyl-coenzyme ASuccinyl CoA604-98-8Coenzyme A, S-(hydrogen butanedioate)coenzyme A, succinyl-BSI27HW5EQS-(hydrogen succinyl)-CoAS-(3-carboxy-propionyl)-CoAS-(3-carboxypropionyl)-coenzyme-AS-(3-Carboxy-propionyl)-coenzym-ACHEBI:15380

名称をさらに表示

3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}4-[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]ethylsulfanyl]-4-oxobutanoic acid3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-((3-carboxypropanoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)4-(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)ethylsulfanyl)-4-oxobutanoic acidRefChem:8894234-((2-(3-(3-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-2-hydroxy-3-methylbutanamido)propanamido)ethyl)sulfanyl)-4-oxobutanoic acidSuccinyl coenzyme AS-Succinoylcoenzyme A

データベース識別子

CAS: 604-98-8
PubChem CID: 92133
DTXSID: DTXSID40975809
ChEMBL: CHEMBL2338332
ChEBI: CHEBI:15380
UNII: BSI27HW5EQ
EC Number: 210-079-5
Nikkaji: J514.350K

物性

構造計算による物性

XLogP: -6.2
極性表面積: 426 Å²
水素結合供与体数: 10
水素結合受容体数: 24
回転可能結合数: 23
重原子数: 55
形式電荷: 0
複雑度: 1,510

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]

Physical DescriptionSolid

化学と産業

薬理情報

Tissue LocationsSkeletal Muscle

Cellular LocationsExtracellular

Metabolite Pathways2-ketoglutarate dehydrogenase complex deficiency