기본 정보
- CAS
25119-42-0- 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)CCCCC(=O)O- InChIKey
SPNAEHGLBRRCGL-BIEWRJSYSA-N- 분자식
- C27H44N7O19P3S
- 평균 분자량
- 895.7 g/mol
- 단동위원소 질량
- 895.16255437
개요
Adipoyl-CoA is an alpha, dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of adipic acid. It is functionally related to a hexanoyl-CoA and an adipic acid. It is a conjugate acid of an adipoyl-CoA(5-).
이름 및 식별자
- 우선 이름
- Adipoyl-CoA
- IUPAC
- 6-[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]-6-oxohexanoic acid
이름 및 동의어
adipoyl-CoA5-Carboxypentanoyl-CoACHEBI:345286-[(2-{3-[(2R)-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]-6-oxohexanoic acid6-[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]-6-OXOHEXANOIC ACID6-((2-(3-((2R)-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)-6-oxohexanoic acidRefChem:10761926-(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)-6-oxohexanoic acidAdipyl-CoA5-carboxypentanoyl-coenzyme AAdipoyl-Coenzyme A (sodium salt)Adipyl-CoA; (Acyl-CoA); [M+H]+;
이름 더 보기
물성
구조 계산 물성
- XLogP
- -5.5
- 극성 표면적
- 426 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 24
- 회전 가능 결합 수
- 25
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,550
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Physical DescriptionSolid
화학 및 산업
약리 정보
Cellular LocationsExtracellular
관련 반응
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