트랜스-3-데세노일-CoA
trans-3-decenoyl-CoA
기본 정보
- CAS
6410-54-4- 표준 SMILES
CCCCCC/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
CQGVNMQHZQJNII-ZJZQAHHTSA-N- 분자식
- C31H52N7O17P3S
- 평균 분자량
- 919.8 g/mol
- 단동위원소 질량
- 919.23532538
개요
Trans-dec-3-enoyl-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 trans-dec-3-enoic acid. It is a monounsaturated fatty acyl-CoA, a trans-3-enoyl-CoA and a medium-chain fatty acyl-CoA. It is functionally related to a trans-dec-3-enoic acid. It is a conjugate acid of a trans-dec-3-enoyl-CoA(4-).
이름 및 식별자
- 우선 이름
- trans-3-decenoyl-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] (E)-dec-3-enethioate
- 현지명
- 트랜스-3-데세노일-CoA
- 영어명
- trans-3-Decenoyl-CoA
- 분자식
- C31H52N7O17P3S
- 분자량
- 919.77
이름 및 동의어
trans-3-decenoyl-CoA6410-54-43-trans-decenoyl-CoAtrans-dec-3-enoyl-CoA3-trans-decenoyl-coenzyme Atrans-3-decenoyl-coenzyme A3E-decenoyl-CoA{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(3E)-dec-3-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acidS-[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] (E)-dec-3-enethioate3-Decenoyl-CoA(E)-S-3-decenoateS-(3E)-3-decenoate
이름 더 보기
트랜스-3-데세노일-CoACoenzyme A, S-(3E)-3-decenoate
(E)-S-3-decenoic acid(E)-S-3-decenoate CoAS-(3E)-3-decenoateCoAS-(3E)-3-decenoic acidtrans-dec-3-enoyl-coenzyme Aorb3022211(E)-S-3-decenoate Coenzyme AS-(3E)-3-decenoateCoenzyme A
물성
구조 계산 물성
- XLogP
- -2.1
- 극성 표면적
- 389 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,560
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Physical DescriptionSolid
물리화학적 성질
- 밀도
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.16 · 1.16±0.50(Predicted)
화학 및 산업
약리 정보
Cellular LocationsExtracellular
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