3-Hydroxy-3-methylglutaryl CoA
기본 정보
- 표준 SMILES
CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O- InChIKey
CABVTRNMFUVUDM-UHFFFAOYSA-N- 분자식
- C27H44N7O20P3S
- 평균 분자량
- 911.7 g/mol
- 단동위원소 질량
- 911.15746899
개요
HMG-CoA has been reported in Arabidopsis thaliana and Homo sapiens with data available.
이름 및 식별자
- 우선 이름
- 3-Hydroxy-3-methylglutaryl CoA
- IUPAC
- 5-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acid
이름 및 동의어
3-Hydroxy-3-methylglutaryl CoARefChem:10679515-(2-(3-((4-(((5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl)oxy-2-hydroxy-3,3-dimethylbutanoyl)amino)propanoylamino)ethylsulfanyl)-3-hydroxy-3-methyl-5-oxopentanoic acidS-(Hydrogen 3-hydroxy-3-methylglutaryl)coenzyme ACoenzyme A, S-(hydrogen 3-hydroxy-3-methylpentanedioate)SCHEMBL4358590CABVTRNMFUVUDM-UHFFFAOYSA-NBAA55355DL-3-Hydroxy-3-methylglutaryl coenzyme APD022239NS00120598Coenzyme A, S-(hydrogen 3-hydroxy-3-methylglutarate)
데이터베이스 식별자
- PubChem CID
- 84
물성
구조 계산 물성
- XLogP
- -6.6
- 극성 표면적
- 446 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 25
- 회전 가능 결합 수
- 24
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,610
실험 및 물리화학적 성질
Collision Cross Section261.7 Ų [M-H]-
관련 반응
1건
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