S-[2-[3-[[4-[[[(2R,3R,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] (3S)-3-hydroxydodecanethioate
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
72059-49-5- 표준 SMILES
CCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(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
IJFLXRCJWPKGKJ-QHZPGZSXSA-N- 분자식
- C33H58N7O18P3S
- 평균 분자량
- 965.847 g/mol
- 단동위원소 질량
- 965.27718891
이름 및 식별자
- 우선 이름
- S-[2-[3-[[4-[[[(2R,3R,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] (3S)-3-hydroxydodecanethioate
- IUPAC
- S-{1-[(2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (3S)-3-hydroxydodecanethioate
- 영어명
- Coenzyme A, S-(3-hydroxydodecanoate)
- 분자식
- C33H58N7O18P3S
- 분자량
- 965.84
이름 및 동의어
(S)-3-Hydroxydodecanoyl-CoAS-(3-hydroxydodecanoate)-CoACoenzyme A, S-(3-hydroxydodecanoate)[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-[(3S)-3-hydroxydodecanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
데이터베이스 식별자
- CAS
72059-49-5- PubChem CID
- 57358598
- DTXSID
DTXSID00724158
물성
물리화학적 성질
- 밀도
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.16 · 1.16±0.50(Predicted)
- InChIKey
- ZVRQUHHCKXBEGU-LXIXEQKWSA-N
- SMILES
- SCCNC(=O)CCNC(=O)[C@H](OC(=O)C[C@@H](O)CCCCCCCCC)C(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](O)[C@@H]1OP(=O)(O)O)(C)C
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…