시클로헥산카르복실-코엔자임A
Cyclohexane-1-carbonyl-CoA
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기본 정보
- CAS
5960-12-3- 표준 SMILES
CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1- InChIKey
QRSKGVRHSLILFG-TYHXJLICSA-N- 분자식
- C28H46N7O17P3S
- 평균 분자량
- 877.7 g/mol
- 단동위원소 질량
- 877.18837519
개요
Cyclohexane-1-carbonyl-CoA is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cyclohexane-1-carboxylic acid. It is functionally related to a cyclohexanecarboxylic acid. It is a conjugate acid of a cyclohexane-1-carbonyl-CoA(4-).
이름 및 식별자
- 우선 이름
- Cyclohexane-1-carbonyl-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] cyclohexanecarbothioate
- 현지명
- 시클로헥산카르복실-코엔자임A
- 영어명
- cyclohexanecarboxyl-coenzyme A
- 분자식
- C28H46N7O17P3S
- 분자량
- 877.69
이름 및 동의어
cyclohexane-1-carbonyl-CoACyclohexane-1-carboxyl-CoAcyclohexane-1-carbonyl-coenzyme Acyclohexane-1-carboxyl-coenzyme ACHEBI:285573'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-((cyclohexane-1-carbonyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)RefChem:10824955960-12-3Cyclohexanecarboxyl-coenzyme ACyclohexanoyl Coenzyme ACyclohexanoyl-Coenzyme A
이름 더 보기
시클로헥산카르복실-코엔자임Acyclohexancarboxyl-CoACyclohexanecarbonyl-CoA
Cyclohexanecarboxyl-coaCoenzyme A, S-cyclohexanecarboxylateS-Cyclohexanecarboxylate coenzyme AHBW774Y7U5S-[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] cyclohexanecarbothioateCoenzyme A, cyclohexanecarboxyl-Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoAUNII-HBW774Y7U5
물성
구조 계산 물성보충 중
- XLogP
- -3.6
- 극성 표면적
- 389 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,510
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
물리화학적 성질
- 밀도
- 1.837 · 1.837±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- PBS (pH 7.2): 10 mg/ml
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 1.157 · 1.157±0.50(predicted)
- 색상
- White to off-white
화학 및 산업
추가 설명
정의ChEBI: An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cyclohexane-1-carboxylic acid.
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