3-oxohexacosanoyl-CoA
기본 정보
- CAS
1245945-35-0- 표준 SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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- InChIKey
VOMUIFOBQMYJPJ-CPIGOPAHSA-N- 분자식
- C47H84N7O18P3S
- 평균 분자량
- 1,160.2 g/mol
- 단동위원소 질량
- 1,159.48064102
개요
3-oxohexacosanoyl-CoA is a 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxohexacosanoic acid. It has a role as a Saccharomyces cerevisiae metabolite and a human metabolite. It is a 3-oxo-fatty acyl-CoA and a very long-chain fatty acyl-CoA. It is functionally related to a 3-oxohexacosanoic acid and a hexacosanoyl-CoA. It is a conjugate acid of a 3-oxohexacosanoyl-CoA(4-).
이름 및 식별자
- 우선 이름
- 3-oxohexacosanoyl-CoA
- IUPAC
- 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] 3-oxohexacosanethioate
이름 및 동의어
3-oxohexacosanoyl-CoA3-ketocerotoyl-CoA3-oxocerotoyl-CoA3-ketohexacosanoyl-CoA1245945-35-03-oxohexacosanoyl-Coenzyme A3-ketohexacosanoyl-coenzyme A3-Oxohexacosyl-CoA3-Oxo-hexacoanoyl-CoAorb3144985CoA 26:1;OSCHEMBL11026148
이름 더 보기
CHEBI:52977DTXSID201343653LMFA07050241TYD-04329S-[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] 3-oxohexacosanethioate3-oxohexacosanoyl-Coenzyme A; (Acyl-CoA); [M+H]+;Q271048023'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxohexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate}
데이터베이스 식별자
- CAS
1245945-35-0- PubChem CID
- 25271602
- DTXSID
DTXSID201343653- ChEBI
CHEBI:52977
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 406 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 44
- 무거운 원자 수
- 76
- 형식 전하
- 0
- 복잡도
- 1,880
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
화학 및 산업
약리 정보
Cellular LocationsMembrane
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