Coenzyme A S-(4-hydroxybenzeneacetate)
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기본 정보
- CAS
117411-05-9- 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)Cc1ccc(O)cc1- InChIKey
GPCAQTOAAYEBGJ-CECATXLMSA-N- 분자식
- C29H42N7O18P3S
- 평균 분자량
- 901.675 g/mol
- 단동위원소 질량
- 901.15198839
이름 및 식별자
- 우선 이름
- Coenzyme A S-(4-hydroxybenzeneacetate)
- IUPAC
- S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (4-hydroxyphenyl)ethanethioate
- 영어명
- [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-[2-(4-hydroxyphenyl)acetyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
- 분자식
- C29H42N7O18P3S
- 분자량
- 901.67
이름 및 동의어
4-Hydroxyphenylacetyl-CoACoenzyme A, S-(4-hydroxybenzeneacetate)[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-[2-(4-hydroxyphenyl)acetyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
데이터베이스 식별자
- CAS
117411-05-9- PubChem CID
- 11966203
- DTXSID
DTXSID101283593- ChEBI
CHEBI:28773- Nikkaji
- J2.255.751C
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