기본 정보
- CAS
80434-82-8- 표준 SMILES
O=C(O)CCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O- InChIKey
SXWGPVJGNOLNHT-VFLUTPEKSA-N- 분자식
- C20H30O6
- 평균 분자량
- 366.4 g/mol
- 단동위원소 질량
- 366.20423867
개요
20-hydroxy-20-oxoleukotriene B4 is a member of the class of leukotrienes that is leukotriene B4 in which the terminal methyl group has undergone formal oxidation to the corresponding carboxylic acid. It has a role as a human urinary metabolite and a human blood serum metabolite. It is a hydroxy carboxylic acid, a leukotriene and an alpha,omega-dicarboxylic acid. It is functionally related to a leukotriene B4. It is a conjugate acid of a 20-hydroxy-20-oxoleukotriene B4(2-).
이름 및 식별자
- 우선 이름
- 20-Carboxyleukotriene B4
- IUPAC
- (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenedioic acid
- 영어명
- 20-Carboxy-leukotriene B4
- 분자식
- C20H30O6
- 분자량
- 366.45
이름 및 동의어
80434-82-820-carboxyleukotriene B4DTXSID3013133585(S),12(R)-Dihydroxy-20-carboxy-6,8,10,14-eicosatetraenoic acid6,8,10,14-Eicosatetraenedioic acid, 5,12-dihydroxy-, (S-(R*,S*-(E,Z,E,Z)))-RefChem:483881DTXCID50174317720-Cooh ltb420-Carboxy-leukotriene B420-COOH-LTB420-carboxy-LTB4(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenedioic acid
이름 더 보기
20-carboxy Leukotriene B4 (20-carboxy LTB4)6,8,10,14-Eicosatetraenedioic acid, 5,12-dihydroxy-, (5S,6Z,8E,10E,12R,14Z)-
20-COOH-Leukotriene B420-CARBOXY-LEUKOTRIENEB420-hydroxy-20-oxoleukotriene B45S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraene-1,20-dioic acid20-hydroxy-20-oxo-leukotriene B4(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenedioate20-carboxy Leukotriene B420-Carboxy-leukotriene- B4
데이터베이스 식별자
- CAS
80434-82-8- PubChem CID
- 5280877
- DTXSID
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 504
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Leukotrienes [FA0302]
Physical DescriptionSolid
Collision Cross Section189.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]
물리화학적 성질
- 끓는 점
- 588.3 · 588.3±50.0 °C(Predicted)
- 밀도
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- 인화점
- 14 ℃ · 14℃
- 저장 조건
- 20 °C · −20°C
- 용해도
- 50 mg/ml; · DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS pH 7.2: 1 mg/ml
- 물리적 상태
- Liquid
- 산도 계수 (pKa)
- 4.66 · 4.66±0.10(Predicted)
- 색상
- Colorless to light yellow
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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
화학 및 산업
약리 정보
Cellular LocationsExtracellular
Metabolite PathwaysAcetaminophen Action Pathway
응용 분야
개요20-carboxy LTB4 is a metabolite of LTB4 in human neutrophils. In human leukocytes, LTB4 is inactivated by the enzyme LTB4 20-hydroxylase. The resulting 20-hydroxy LTB4 is further oxidized to 20-carboxy LTB4. LTB4 metabolism in isolated rat hepatocytes also results in production of 20-carboxy LTB4 along with other ω-oxidation products. The biological activity of 20-carboxy LTB4 is only about 2.6% compared to that of LTB4 in causing PMNL degranulation.
용도20-COOH-LTB4 is a leukotriene B4 metabolite and substrate for β-oxidation pathways.
공급사9 곳
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
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