3-Hydroxypimeloyl-CoA

HCID 9543022

노트 반응

부분 구조 검색 유사 구조 찾기

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)CC(O)CCCC(=O)O
InChIKey: VGEBXBQECGWCRH-JXUSAFQPSA-N
분자식: C28H46N7O20P3S
평균 분자량: 925.7 g/mol
단동위원소 질량: 925.17311905

이름 및 식별자

우선 이름: 3-Hydroxypimeloyl-CoA
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]-5-hydroxy-7-oxoheptanoic acid

이름 및 동의어

3-Hydroxypimeloyl-CoA3-hydroxypimelyl-coenzyme A3-hydroxypimeloyl-coenzyme A3-Hydroxypimelyl-CoAS-(6-carboxy-3-hydroxyhexanoyl)-coenzyme A3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-hydroxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}148504-35-27-[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]-5-hydroxy-7-oxoheptanoic acidC06714SCHEMBL640164orb3022249CoA 7:1;O3

이름 더 보기

CHEBI:15485VGEBXBQECGWCRH-JXUSAFQPSA-NLMFA07050224TXB-006963-Hydroxypimelyl-CoA; (Acyl-CoA); [M+H]+;Q270894693-hydroxypimeloyl-coenzyme A;3-hydroxypimelyl-coenzyme A;S-(6-carboxy-3-hydroxyhexanoyl)-coenzyme A

데이터베이스 식별자

PubChem CID: 9543022
ChEBI: CHEBI:15485
Nikkaji: J979.013F

물성

구조 계산 물성

XLogP: -6.1
극성 표면적: 446 Å²
수소 결합 공여자 수: 11
수소 결합 수용자 수: 25
회전 가능 결합 수: 26
무거운 원자 수: 59
형식 전하: 0
복잡도: 1,600

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