Aldehyde
基本情報
- CAS
115609-68-2- 標準SMILES
O=CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O- InChIKey
LVLQYGYNBVIONY-PSPARDEHSA-N- 分子式
- C20H30O5
- 平均分子量
- 350.4 g/mol
- 単同位体質量
- 350.20932405
概要
20-oxoleukotriene B4 is a leukotriene that is leukotriene B4 bearing an additional oxo substituent at position 20. It has a role as a metabolite. It is a long-chain fatty acid, a leukotriene, a polyunsaturated fatty acid, a dihydroxy monocarboxylic acid, a hydroxyaldehyde and an omega-oxo fatty acid. It is functionally related to an icosa-6,8,10,14-tetraenoic acid. It is a conjugate acid of a 20-oxoleukotriene B4(1-).
名称と識別子
- 優先名称
- Aldehyde
- IUPAC
- (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid
- 英語名
- 20-aldehyde leukotriene B4
- 分子式
- C20H30O5
- 分子量
- 350.45
名称と別名
RefChem:915374AldehydeAldehydesCHEBI:17478RCHO20-Aldehyde leukotriene B420-Oxoleukotriene B4Ltb4-20-aldehyde115609-68-2Leukotriene B4-20-aldehyde(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid20-oxo-leukotriene B4
名称をさらに表示
6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-20-oxo-, (5S,6Z,8E,10E,12R,14Z)-
6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-20-oxo-, (S-(R*,S*-(E,Z,E,Z)))-20cho-LTB420-OXO-LTB4CHEBI:63979DTXSID801142031LMFA03020064Q27132944(5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-20-oxo-6,8,10,14-eicosatetraenoic acid
データベース識別子
- CAS
115609-68-2- PubChem CID
- 6449839
- DTXSID
DTXSID801142031- ChEBI
CHEBI:63979
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 94.8 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 5
- 回転可能結合数
- 15
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 463
実験および物理化学的性質
Chemical ClassesOther Classes -> Aldehydes
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Leukotrienes [FA0302]
Physical DescriptionSolid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
Fire Hazards
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.
· May cause toxic effects if inhaled or absorbed through skin.
Hazards Summary
Aldehydes are reactive organic chemicals with the generic formula RCHO; [Hawley] The primary acute health effect of aldehydes is irritation of the respiratory tract; [LaDou, p. 555] They include formaldehyde, acetaldehyde, glutaraldehyde, furfural, butyraldehyde, malonaldehyde, paraformaldehyde, propionaldehyde, chloroacetylaldehyde, crotonaldehyde, n-valeraldehyde, cinnamic aldehyde, and formaldehyde resins;
DOT ID and Guide
1988 131P
1989 129P
DOT Hazard Classification
Aldehydes, n.o.s.
UN1989
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG I: the degree of danger presented by the material is great
Aldehydes, flammable, toxic, n.o.s.
UN1988
安全と保護具
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
Uses
Burning Natural Polymers [Category: Burn]
Burning biomass fuel for cooking and heating [Category: Environments]
補足説明
定義ChEBI: A leukotriene that is leukotriene B4 bearing an additional oxo substituent at position 20.
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