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기본 정보
- CAS
2140-48-9- 표준 SMILES
CCCC(=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
CRFNGMNYKDXRTN-CITAKDKDSA-N- 분자식
- C25H42N7O17P3S
- 평균 분자량
- 837.632 g/mol
- 단동위원소 질량
- 837.15707377
이름 및 식별자
- 우선 이름
- Butyryl 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} butanethioate
- 영어명
- [5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-butanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
- 분자식
- C25H42N7O17P3S
- 분자량
- 837.63
이름 및 동의어
Butyryl-CoAbutanoyl Coenzyme AButyryl-CoA-sodium-saltCoenzyme A, S-butanoateButyryl-CoA / Butanoyl-CoAButyryl-Coenzyme A Na-SaltAdenosine 3'-phosphoric acid 5'-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(butyrylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester[5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-butanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
데이터베이스 식별자
- CAS
2140-48-9- PubChem CID
- 122283
- DTXSID
DTXSID70943955- ChEBI
CHEBI:15517- Nikkaji
- J1.721.973A
물성
물리화학적 성질
- 밀도
- 1.831 · 1.831±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 1.157 · 1.157±0.50(predicted)
화학 및 산업
공급사11 곳
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
南京政琦科技有限公司19853943728 19853943728 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海纳孚生物科技有限公司021-58952328 13125124762 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
上海楷森生物科技有限公司17558870519 · [email protected]
南通信合生物科技有限公司13813727166，15370460228; 13813727166 · [email protected]
추가 설명
정의ChEBI: A short-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of butyric acid.
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