기본 정보
- 표준 SMILES
CCCCC/C=C\C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)O- InChIKey
UFPQIRYSPUYQHK-WAQVJNLQSA-N- 분자식
- C20H30O3
- 평균 분자량
- 318.4 g/mol
- 단동위원소 질량
- 318.21949481
이름 및 식별자
- 우선 이름
- Leukotriene A4
- IUPAC
- 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoic acid
- 영어명
- 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoic acid
- 분자식
- C20H30O3
- 분자량
- 318.45
이름 및 동의어
Leukotriene A4LTA4Leukotriene A72059-45-15S,6S-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid7Y7MPZ6563CHEBI:15651DTXSID40903945(5S,6S,7E,9E,11Z,14Z)-5,6-Epoxyicosa-7,9,11,14-tetraenoate(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoic acid(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyicosa-7,9,11,14-tetraenoate4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraen-1-yl]oxiran-2-yl]butanoic acid
이름 더 보기
(2S)-3α-[(1E,3E,5Z,8Z)-1,3,5,8-Tetradecatetrenyl]oxirane-2β-butyric acid(2S)-3α-[(1E,3E,5Z,8Z)-1,3,5,8-Tetradecatetraenyl]oxirane-2β-butyric acid2-Oxiranebutanoic acid, 3-(1E,3E,5Z,8Z)-1,3,5,8-tetradecatetraen-1-yl-, (2S,3S)-
Oxiranebutanoic acid, 3-(1,3,5,8-tetradecatetraenyl)-, (2S-(2alpha,3beta(1E,3Z,5Z,8Z)))-Leukotrienes ALeukotriene A 4Leukotriene A-44-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoic acid4-{(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraen-1-yl]oxiran-2-yl}butanoic acid4-((2S,3S)-3-((1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraen-1-yl)oxiran-2-yl)butanoic acid4-((2S,3S)-3-((1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl)oxiran-2-yl)butanoic acid
데이터베이스 식별자
- CAS
72059-45-1- PubChem CID
- 5280383
- DTXSID
DTXSID40903945- ChEMBL
CHEMBL69439- ChEBI
CHEBI:15651- UNII
- 7Y7MPZ6563
- Nikkaji
- J138.393K
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 432
실험 및 물리화학적 성질
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 28 · 28-32°
화학 및 산업
약리 정보
Tissue LocationsEpidermis
Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Membrane
Metabolite Pathways
Acetaminophen Action Pathway；Acetylsalicylic Acid Action Pathway；Antipyrine Action Pathway；Antrafenine Action Pathway；Arachidonic Acid Metabolism；Bromfenac Action Pathway；Carprofen Action Pathway；Celecoxib Action Pathway；Diclofenac Action Pathway；Diflunisal Action Pathway；Total 41 pathways, visit the HMDB page for details
추가 설명
정의ChEBI: A leukotriene that is the (5S,6S)-epoxy derivative of (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid.
관련 반응
10건
연결된 노트
불러오는 중…