3-히드록시-3-메틸-4-카르복시부틸-조효소A
9-{5-O-[{[(4-{[3-({2-[(4-Carboxy-3-hydroxy-3-methylbutyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
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기본 정보
- CAS
78901-91-4- 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)NCCSCC[C@](C)(O)CC(=O)O- InChIKey
WJVWFKKGYOZUEZ-PQMUVBQJSA-N- 분자식
- C27H46N7O19P3S
- 평균 분자량
- 897.684 g/mol
- 단동위원소 질량
- 897.17820314
이름 및 식별자
- 우선 이름
- 9-{5-O-[{[(4-{[3-({2-[(4-Carboxy-3-hydroxy-3-methylbutyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
- IUPAC
- 5'-O-[({[(3R)-4-({3-[(2-{[(3R)-4-Carboxy-3-hydroxy-3-methylbutyl]sulfanyl}ethyl)imino]-3-hydroxypropyl}imino)-3,4-dihydroxy-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
- 현지명
- 3-히드록시-3-메틸-4-카르복시부틸-조효소A
- 영어명
- 3-hydroxy-3-methyl-4-carboxybutyl-coenzyme A
- 분자식
- C27H46N7O19P3S
- 분자량
- 897.68
이름 및 동의어
3-히드록시-3-메틸-4-카르복시부틸-조효소AS-(4-carboxy-3-hydroxy-3-methylbutyl)-CoA3-hydroxy-3-methyl-4-carboxybutyl-coenzyme A
데이터베이스 식별자
- CAS
78901-91-4- PubChem CID
- 196120
- DTXSID
DTXSID401000130
물성
물리화학적 성질
- 밀도
- 1.835 · 1.835±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 1.157 · 1.157±0.50(predicted)
관련 반응
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