Succinyl CoA
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기본 정보
- CAS
604-98-8- 표준 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- 분자식
- C25H40N7O19P3S
- 평균 분자량
- 867.6 g/mol
- 단동위원소 질량
- 867.13125295
개요
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-).
이름 및 식별자
- 우선 이름
- 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
- 영어명
- S-(hydrogen succinyl)coenzyme A
- 분자식
- C25H40N7O19P3S
- 분자량
- 867.61
이름 및 동의어
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
이름 더 보기
Coenzyme A Impurity 5 MonomerS-(hydrogen succinyl)coenzyme ACoenzyme A derivative impurity 17Coenzyme A S-(hydrogen butanedioate)Coenzyme A Impurity 5 Monomer （Succinyl Coenzyme A Monomer)Adenosine 3'-phosphoric acid 5'-[diphosphoric acid β-[4-[[3-[[2-[(3-carboxypropanoyl)thio]ethyl]amino]-3-oxopropyl]amino]-4-oxo-3-hydroxy-2,2-dimethylbutyl]] esterAdenosine 3'-phosphoric acid 5'-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(1,4-dioxo-4-hydroxybutylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester3-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]propanoic acid
물성
구조 계산 물성보충 중
- XLogP
- -6.2
- 극성 표면적
- 426 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 24
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,510
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Physical DescriptionSolid
물리화학적 성질
- 밀도
- 1.91 · 1.91±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.16 · 1.16±0.50(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 기존화학 물질
- KE-20207
화학 및 산업
약리 정보
Tissue LocationsSkeletal Muscle
Cellular LocationsExtracellular
Metabolite Pathways2-ketoglutarate dehydrogenase complex deficiency
추가 설명
정의ChEBI: An omega-carboxyacyl-CoA having succinoyl as the S-acyl component.
관련 반응
2건
화합물 노트
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