20-Hydroxyeicosatetraenoic acid

HCID 5283157

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 79551-86-3
표준 SMILES: O=C(O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO
InChIKey: NNDIXBJHNLFJJP-DTLRTWKJSA-N
분자식: C20H32O3
평균 분자량: 320.5 g/mol
단동위원소 질량: 320.23514488

이름 및 식별자

우선 이름: 20-Hydroxyeicosatetraenoic acid
IUPAC: (5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid
영어명: 20-HETE
분자식: C20H32O3
분자량: 320.47

이름 및 동의어

20-Hete79551-86-320-Hydroxyeicosatetraenoic acid20-Hydroxy arachidonic acid(5Z,8Z,11Z,14Z)-20-Hydroxyicosa-5,8,11,14-tetraenoic acid20-Hydroxyicosatetraenoic acid20-hydroxy-5,8,11,14-eicosatetraenoic acid20-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acidDTXSID601009895CHEBI:34306RefChem:89565DTXCID801436327

이름 더 보기

20-Hydroxyarachlidonic acid20-HETE - 0.01%, in ethanolomega-Hydroxyarachidonic acid20-HETE Lipid Maps MS Standard20-hydroxy-5(Z),8(Z),11(Z),14(Z)-ETA20-HETE, 20-Hydroxyarachidonic acid

20-Hydroxyarachidonic acid20-Hydroxyeicosatetraeonic acid20-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acid20-HETE (>80%)20-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate(5Z,8Z,11Z,14Z)-20-Hydroxyicosa-5,8,11,14-tetraenoate20-HydroxyicosatetraenoateSCHEMBL505713

데이터베이스 식별자

CAS: 79551-86-3
PubChem CID: 5283157
DTXSID: DTXSID601009895
ChEMBL: CHEMBL4085458
ChEBI: CHEBI:34306
Nikkaji: J455.066H

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 15
무거운 원자 수: 23
형식 전하: 0
복잡도: 378

실험 및 물리화학적 성질

Physical DescriptionSolid

Collision Cross Section184.2 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]

물리화학적 성질

끓는 점: 482 · 482.0±33.0 °C(Predicted)
밀도: 0.985 · 0.985±0.06 g/cm3(Predicted)
인화점: 14 ℃ · 14℃
저장 조건: -20 °C · -20°C
용해도: 0.1 M · 0.1 M Na2CO3: 2 mg/ml; DMF: Miscible; DMSO: Miscible; Ethanol: Miscible; PBS pH 7.2: 0.8 mg/ml
산도 계수 (pKa): 4.75 · 4.75±0.10(Predicted)
물리적 상태: 가루
InChI: 1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-
InChIKey: NNDIXBJHNLFJJP-DTLRTWKJSA-N
SMILES: OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O

안전 및 규제

안전 데이터

wgk: 3
ridadr: UN 1170 3/PG 2
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-36
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Metabolism/Metabolites20-HETE is a known human metabolite of arachidonic acid.

Cellular LocationsExtracellular；Membrane

Metabolite Pathways · 1건

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

응용 분야

용도20-HETE is a cytochrome P450 (CYP450) metabolite that may play an autacoid role in cerebral and renal vasculature.

공급사48 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

上海金试生化科技有限公司18601717983 18601717983 · [email protected]

추가 설명

정의ChEBI: A HETE that consists of arachidonic acid bearing a hydroxy substituent at position 20.

화합물 노트

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