기본 정보
- CAS
214769-63-8- 표준 SMILES
CC/C=C\C=C\CC(=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
XMHCCMXYCWOYHF-GRQFGQEHSA-N- 분자식
- C29H46N7O17P3S
- 평균 분자량
- 889.7 g/mol
- 단동위원소 질량
- 889.18837519
개요
Trans-3-cis-5-octadienoyl-CoA is a medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-3-cis-5-octadienoic acid. It is an unsaturated fatty acyl-CoA, a medium-chain fatty acyl-CoA and a (3E,5Z)-dienoyl-CoA. It is a conjugate acid of a trans-3-cis-5-octadienoyl-CoA(4-).
이름 및 식별자
- 우선 이름
- trans-3-cis-5-octadienoyl-CoA
- IUPAC
- S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3E,5Z)-octa-3,5-dienethioate
- 현지명
- 3-트랜스,5-시스-옥타디에노일-CoA
- 영어명
- 3-trans,5-cis-Octadienoyl-CoA
- 분자식
- C29H46N7O17P3S
- 분자량
- 889.7
이름 및 동의어
trans-3-cis-5-octadienoyl-CoA(3E,5Z)-octadienoyl-CoACHEBI:85557(3E,5Z)-octadienoyl-coenzyme ADTXSID101274007trans-3-cis-5-octadienoyl-coenzyme ACoenzyme A, S-[(3E,5Z)-3,5-octadienoate]Q271586413'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(3E,5Z)-octa-3,5-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}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} (3E,5Z)-octa-3,5-dienethioate3-트랜스,5-시스-옥타디에노일-CoACoenzyme A Impurity 24
이름 더 보기
3-trans,5-cis-Octadienoyl-CoA
물성
구조 계산 물성
- XLogP
- -3.6
- 극성 표면적
- 389 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 24
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,570
물리화학적 성질
- 밀도
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.16 · 1.16±0.50(Predicted)
화학 및 산업
공급사2 곳
湖北扬信医药科技有限公司15374522761 · [email protected]
上海楷森生物科技有限公司17558870519 · [email protected]
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