기본 정보
- CAS
3546-17-6- 표준 SMILES
CCCCCCCCCCCCCCCCC(=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
DRABUZIHHACUPI-DUPKZGIXSA-N- 분자식
- C38H68N7O17P3S
- 평균 분자량
- 1,020 g/mol
- 단동위원소 질량
- 1,019.36052589
개요
Heptadecanoyl-CoA is a long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of heptadecanoic acid. It has a role as a metabolite. It is a saturated fatty acyl-CoA, a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It is functionally related to a heptadecanoic acid. It is a conjugate acid of a heptadecanoyl-CoA(4-).
이름 및 식별자
- 우선 이름
- heptadecanoyl-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] heptadecanethioate
- 현지명
- N-HEPTADECANOYL코엔자임A리튬염
- 영어명
- N-HEPTADECANOYL COENZYME A LITHIUM SALT
- 분자식
- C38H68N7O17P3S
- 분자량
- 1019.97
이름 및 동의어
Heptadecanoyl-coa3546-17-6Heptadecyl-coaHeptadecanoyl-coenzyme AHeptadecyl-coenzyme ACoenzyme A, heptadecyl-Coenzyme A, heptadecanoyl-CHEBI:74397DTXSID201316404RefChem:922842DTXCID301746256Heptadecanoyl coenzyme A
이름 더 보기
N-HEPTADECANOYL코엔자임A리튬염17:0 Coenzyme AS-Heptadecanoyl CoAN-heptadecanoyl coenzyme AN-HEPTADECANOYL COENZYME A (C17:0)n-Heptadecanoyl coenzyme A lithium salt >=90%coenzyme A n-heptadecanoyl derivative (C17:0), lithium
Heptadecanoyl CoACoenzyme A, S-heptadecanoateS-[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] heptadecanethioaten-Heptadecanoyl coenzyme A lithium salt{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(heptadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acids-heptadecanoateMargaric acid coas-heptadecanoic acid
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 389 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 35
- 무거운 원자 수
- 66
- 형식 전하
- 0
- 복잡도
- 1,640
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Physical DescriptionSolid
물리화학적 성질
- 밀도
- 1.533 · 1.533±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- -20 °C · -20°C
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 1.157 · 1.157±0.50(predicted)
- 색상
- White to off-white
- InChIKey
- DRABUZIHHACUPI-UVICFMDKSA-N
- SMILES
- CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
Metabolite PathwaysDe Novo Triacylglycerol Biosynthesis TG(10:0/10:0/17:0)
응용 분야
용도17:0 Coenzyme A or heptadecanoyl Coenzyme A (ammonium salt) has been used as an internal standard for long-chain acyl-CoA (LCACoA) analysis by liquid chromatography/tandem mass spectrometry. It has also been used as an internal standard to measure the percentage recovery of fatty acyl-CoAs by high performance liquid chromatography.
공급사10 곳
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Creative Enzymes1-516-855-7709 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…