Isobutyryl CoA
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기본 정보
- CAS
15621-60-0- 표준 SMILES
CC(C)C(=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
AEWHYWSPVRZHCT-NDZSKPAWSA-N- 분자식
- C25H42N7O17P3S
- 평균 분자량
- 837.632 g/mol
- 단동위원소 질량
- 837.15707377
이름 및 식별자
- 우선 이름
- Isobutyryl CoA
- 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} 2-methylpropanethioate
- 영어명
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-3-[2-[2-(2-methylpropanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
- 분자식
- C25H42N7O17P3S
- 분자량
- 837.62
이름 및 동의어
Isobutyryl-CoAisobutyryl-coenzyme ACoenzyme A, S-(2-methylpropanoate)[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-3-[2-[2-(2-methylpropanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
데이터베이스 식별자
- CAS
15621-60-0- PubChem CID
- 3036931
- DTXSID
DTXSID90935397- ChEBI
CHEBI:15479- Nikkaji
- J721.070A
물성
물리화학적 성질
- 밀도
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.16 · 1.16±0.50(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
추가 설명
정의ChEBI: A short-chain, methyl-branched fatty acyl-CoA that is the S-isobutyryl derivative of coenzyme A.
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