기본 정보
- CAS
30960-17-9- 표준 SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=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
QKBTYZDPVNTERQ-UWVCYPHHSA-N- 분자식
- C43H68N7O17P3S
- 평균 분자량
- 1,080 g/mol
- 단동위원소 질량
- 1,079.36052589
개요
(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (4Z,7Z,10Z,13Z,16Z)-docosapentaenoic acid. It has a role as a mouse metabolite. It is a (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl derivative, a long-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It is functionally related to a (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid. It is a conjugate acid of a (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4-).
이름 및 식별자
- 우선 이름
- (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-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] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenethioate
이름 및 동의어
(4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoACHEBI:76450Docosa-4,7,10,13,16-pentaenoyl coenzyme A(4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-coenzyme A3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-(((4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl-CoaRefChem:695724Z,7Z,10Z,13Z,16Z-docosapentaenoyl-CoADocosa-4,7,10,13,16-pentaenoyl CoACoA(22:5(4Z,7Z,10Z,13Z,16Z))LMFA07050043
이름 더 보기
4,7,10,13,16-Docosapentaenoyl coenzyme AQ27145998
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 389 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 35
- 무거운 원자 수
- 71
- 형식 전하
- 0
- 복잡도
- 1,960
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Physical DescriptionSolid
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
Metabolite PathwaysCardiolipin Biosynthesis CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
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