기본 정보
- 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)CCCCCC(=O)O- InChIKey
LYCRXMTYUZDUGA-UYRKPTJQSA-N- 분자식
- C28H46N7O19P3S
- 평균 분자량
- 909.7 g/mol
- 단동위원소 질량
- 909.17820443
이름 및 식별자
- 우선 이름
- Coenzyme A, S-(hydrogen heptanedioate)
- IUPAC
- 7-[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]ethylsulfanyl]-7-oxoheptanoic acid
- 현지명
- 피멜로일-코엔자임A
- 영어명
- pimeloyl-coenzyme A
- 분자식
- C28H46N7O19P3S
- 분자량
- 909.69
이름 및 동의어
pimeloyl-CoA18907-20-5Pimeloyl-coenzyme ACoenzyme A, pimeloyl-Coenzyme A, S-(hydrogen heptanedioate)Pimelyl-CoA7-[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]ethylsulfanyl]-7-oxoheptanoic acidCHEBI:155043'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-((6-carboxyhexanoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)7-(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)ethylsulfanyl)-7-oxoheptanoic acidRefChem:174279
이름 더 보기
피멜로일-코엔자임A
6-carboxyhexanoyl-CoApymeloyl-CoAC01063SCHEMBL851130orb1983134SCHEMBL29403288DTXSID60940418LYCRXMTYUZDUGA-UYRKPTJQSA-N
데이터베이스 식별자
- CAS
18907-20-5- PubChem CID
- 3082140
- DTXSID
DTXSID60940418- ChEBI
CHEBI:15504- Nikkaji
- J1.074.430J
물성
구조 계산 물성
- XLogP
- -5
- 극성 표면적
- 426 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 24
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,560
물리화학적 성질
- 밀도
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.16 · 1.16±0.50(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사3 곳
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海楷森生物科技有限公司17558870519 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
추가 설명
정의ChEBI: An omega carboxyacyl-CoA that is the S-pimeloyl derivative of coenzyme A.
관련 반응
2건
연결된 노트
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