류코트리엔E4

Leukotriene E4

HCID 5280879CAS 75715-89-8
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기본 정보

표준 SMILES
CCCCC/C=C\C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(=O)O
InChIKey
OTZRAYGBFWZKMX-FRFVZSDQSA-N
분자식
C23H37NO5S
평균 분자량
439.6 g/mol
단동위원소 질량
439.23924428

개요

Leukotriene E4 is a leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and an L-cystein-S-yl group at position 6 (6R). It is a leukotriene, a L-cysteine thioether, a secondary alcohol, an amino dicarboxylic acid and a non-proteinogenic L-alpha-amino acid. It is functionally related to an icosa-7,9,11,14-tetraenoic acid. It is a conjugate acid of a leukotriene E4(1-).

이름 및 식별자

우선 이름
Leukotriene E4
IUPAC
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
현지명
류코트리엔E4
영어명
Leukotriene E4
분자식
C23H37NO5S
분자량
439.61

이름 및 동의어

leukotriene E4LTE475715-89-8Leukotriene E8EYT8ATL7GCHEBI:15650DTXSID208975105S-hydroxy,6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraenoate(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoate(5S-(5R*,6S*(S*),7E,9E,11Z,14Z))-6-((2-Amino-2-carboxyethyl)thio)-5-hydroxy-7,9,11,14-eicosatetraenoic acid
이름 더 보기
류코트리엔E4Leukotriene E4 MaxSpecStandardLeukotriene E4 Lipid Maps MS StandardLeukotriene E4, CysLT1 and CysLT2 agonistLEUKOTRIENE E4 SOLUTION (100UG/ML ETHANOL)5S-HYDROXY-6R-(S-CYSTEINYL)-7E,9E,11Z,14Z-EICOSATETRAENOIC ACID(5S,6R,7E,9E,11Z,14Z)-6-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-5-hydroxyic(5S,6R,7E,9E,11Z,14Z)-6-[[(R)-2-Amino-2-carboxyethyl]thio]-5-hydroxy-7,9,11,14-icosatetraenoic acid
7,9,11,14-Eicosatetraenoic acid, 6-((2-amino-2-carboxyethyl)thio)-5-hydroxy-, (5S-(5R*,6S*(S*),7E,9E,11Z,14Z))-Leukotriene E 4Leukotriene E-4(5S,6R,7E,9E,11Z,14Z)-6-(2-AMINO-2-CARBOXYETHYL)SULFANYL-5-HYDROXYICOSA-7,9,11,14-TETRAENOIC ACID(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid(5S,6R,7E,9E,11Z,14Z)-6-((2R)-2-amino-2-carboxyethyl)sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid(5S,6R,7E,9E,11Z,14Z)-6-((2R)-2-amino-3-hydroxy-3-oxopropyl)sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acidS-((1R,2E,4E,6Z,9Z)-1-((1S)-4-carboxy-1-hydroxybutyl)pentadeca-2,4,6,9-tetraen-1-yl)-L-cysteine

데이터베이스 식별자

CAS
75715-89-8
PubChem CID
5280879
DTXSID
DTXSID20897510
ChEMBL
CHEMBL509456
ChEBI
CHEBI:15650
UNII
8EYT8ATL7G
Nikkaji
J264.600E

물성

구조 계산 물성

XLogP
2.1
극성 표면적
146 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
7
회전 가능 결합 수
18
무거운 원자 수
30

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Leukotrienes [FA0302]
Physical DescriptionSolid
Collision Cross Section · 3건

212.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]

227.9 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]

213.2 Ų [M-H]-

물리화학적 성질

저장 조건
20 °C · −20°C
용해도
50 mg/mL · 50mg/mL in DMSO or in DMF
물리적 상태
액체.
색상
Colorless to light yellow

안전 및 규제

안전 데이터

wgk
WGK 1
ridadr
UN 1230 3/PG 2
risk_code
11
hazard_code
F,T
safety_code
7-16-23-45
Hazard Classifications
Eye Irrit. 2Flam. Liq. 2

화학 및 산업

약리 정보

Tissue LocationsSmooth Muscle
Cellular LocationsCytoplasm
Metabolite PathwaysFc Epsilon Receptor I Signaling in Mast Cells
응용 분야 · 1건

용도Leukotriene E4 is a metabolite of Arachidonic acid (A765000) via the lipoxygenase pathway, chemically related to the prostaglandins and thromboxanes. The name leukotrienes was applied because of their origin in leukocytes and their conjugated triene structures.

공급사23 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海金试生化科技有限公司18601717983 18601717983 · [email protected]
上海钰博生物科技有限公司021-60514606 18321282235 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

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