기본 정보
- CAS
197508-62-6- 표준 SMILES
CCCCCC1OC1C/C=C\C/C=C\C/C=C\CCCC(=O)O- InChIKey
JBSCUHKPLGKXKH-ILYOTBPNSA-N- 분자식
- C20H32O3
- 평균 분자량
- 320.5 g/mol
- 단동위원소 질량
- 320.23514488
개요
14,15-EET is an EET obtained by formal epoxidation of the 14,15-double bond of arachidonic acid. It has a role as a mouse metabolite. It is a conjugate acid of a 14,15-EET(1-).
이름 및 식별자
- 우선 이름
- 14,15-epoxy-5Z,8Z,11Z-eicosatrienoic acid
- IUPAC
- (5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid
- 영어명
- (14(15)-EET MaxSpecStandard
- 분자식
- C20H32O3
- 분자량
- 320.47
이름 및 동의어
14,15-epoxy-5Z,8Z,11Z-eicosatrienoic acidRefChem:105749614,15-Eet(5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid(+/-)14,15-EpETrE14,15-epoxyeicosatrienoic acid81276-03-114,15-EpETrE197508-62-614(15)-EpETrE14(15)-EET(5Z,8Z,11Z)-14,15-Epoxyeicosa-5.8.11-trienoic acid
이름 더 보기
(±)14,15-epoxy-5Z,8Z,11Z-eicosatrienoic acidAnti-IL11 Antibody (X203)(14(15)-EET MaxSpecStandard(±)14(15)-EET Lipid Maps? MS Standard5,8,11-Tridecatrienoic acid, 13-(3-pentyl-2-oxiranyl)-, (5Z,8Z,11Z)-
(5Z,8Z,11Z)-14,15-Epoxyicosa-5.8.11-trienoic acid(+/-)14,15-EPOXYEICOSA-5Z,8Z,11Z-TRIENOIC ACID( inverted exclamation markA)14,15-Epoxyeicosatrienoic acid14(15)-Epoxy-5Z,8Z,11Z-eicosatrienoic acidBSPBio_001335starbld0008791BML1-D11CHEMBL269319
데이터베이스 식별자
- CAS
197508-62-6、81276-03-1- PubChem CID
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
- 14
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 396
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Epoxyeicosatrienoic acids [FA0308]
Physical DescriptionSolid
Collision Cross Section
185.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]
182.43 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
185.9 Ų [M+Na]+
물리화학적 성질
- 끓는 점
- 464.5 · 464.5±33.0 °C(Predicted)
- 밀도
- 0.983 · 0.983±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 50 mg/ml · DMF: >50 mg/ml (per Rao Maddipati),DMSO: >50 mg/ml (per Rao Maddipati),Ethanol: >50 mg/ml (per Rao Maddipati),
- 산도 계수 (pKa)
- 4.75 · 4.75±0.10(Predicted)
- 물리적 상태
- ethanol solution
- 색상
- Colorless to light yellow
- InChIKey
- JBSCUHKPLGKXKH-ILYOTBPNSA-N
- SMILES
- O1C(C1C\C=C/C\C=C/C\C=C/CCCC(=O)O)CCCCC
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 1
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Metabolism/Metabolites14,15-EET is a known human metabolite of arachidonic acid.
Cellular LocationsExtracellular
Metabolite PathwaysAcetaminophen Action Pathway
응용 분야
용도Epoxyeicosatrienoic Acid (EET) has antihypertensive and anti-inflammatory properties and play a role in the maintenance of renal vascular function. N,N''-dicyclohexylurea (DCU) increased release of 14,15-EET when the cells were stimulated with a calcium ionophore.Also, it is derived from Arachidonic Acid >97% (A765000), which is an essential fatty acid and a precursor in the biosynthesis of prostaglandins, thromboxanes, and leukotrienes. Arachidonic Acid occurs in liver, brain, glandular organs, and depot fats of animals, in small amounts in human depot fats, and Arachidonic Acid is also a constituent of animal phosphatides.
공급사14 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
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