기본 정보
- CAS
1355682-91-5- 표준 SMILES
C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O- InChIKey
YWCSAWTVTUALQW-JTCWXIJDSA-N- 분자식
- C27H52O7
- 평균 분자량
- 488.7 g/mol
- 단동위원소 질량
- 488.37130399
개요
Bhos#38 is an -hydroxy fatty acid ascaroside that is oscr#38 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a monocarboxylic acid, a 3-hydroxy carboxylic acid and an omega-hydroxy fatty acid ascaroside. It is functionally related to an oscr#38 and a (3R)-3,21-dihydroxyhenicosanoic acid. It is a conjugate acid of a bhos#38(1-).
이름 및 식별자
- 우선 이름
- (3R)-21-((3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy)-3-hydroxyheneicosanoic acid
- IUPAC
- (3R)-21-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyhenicosanoic acid
이름 및 동의어
1355682-91-5(3R)-21-((3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy)-3-hydroxyheneicosanoic acid(3R)-21-[(3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyheneicosanoic acidRefChem:208045bhos#38(3R)-21-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyhenicosanoic acid3R-hydroxy-21-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-henicosanoic acidSCHEMBL30465020CHEBI:79269DTXSID601134454LMFA13040056Q27148325
이름 더 보기
(3R)-21-[(3,6-Dideoxy-I+/--L-arabino-hexopyranosyl)oxy]-3-hydroxyheneicosanoic acid3R-hydroxy-21-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-heneicosanoic acid
데이터베이스 식별자
- CAS
1355682-91-5- PubChem CID
- 86289857
- DTXSID
DTXSID601134454- ChEBI
CHEBI:79269
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 488
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty acyl glycosides [FA13] -> Ascarosides [FA1304]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…