LysoPE(0:0/18:2(9Z,12Z))
基本情報
- 標準SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN- InChIKey
SVRBKLJIDJHADS-USWSLJGRSA-N- 分子式
- C23H44NO7P
- 平均分子量
- 477.6 g/mol
- 単同位体質量
- 477.28553974
概要
2-linoleoyl-sn-glycero-3-phosphoethanolamine is a 2-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as linoleoyl. It has a role as a human metabolite. It is functionally related to a linoleic acid. It is a tautomer of a 2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion.
名称と識別子
- 優先名称
- LysoPE(0:0/18:2(9Z,12Z))
- IUPAC
- [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
名称と別名
LysoPE(0:0/18:2(9Z,12Z))((2R)-1-(2-aminoethoxy(hydroxy)phosphoryl)oxy-3-hydroxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate(2-aminoethoxy)((2R)-3-hydroxy-2-((9Z,12Z)-octadeca-9,12-dienoyloxy)propoxy)phosphinic acid(2-aminoethoxy)[(2R)-3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoateRefChem:10483882-azaniumylethyl ((2R)-3-hydroxy-2-((9Z,12Z)-octadeca-9,12-dienoyl)oxypropyl) phosphate2-linoleoyl-sn-glycero-3-phosphoethanolamineLPE(18:2)Lyso-PE(18:2)LPE(0:0/18:2)60701-98-6
名称をさらに表示
Lyso-PE(0:0/18:2)Lysophosphatidylethanolamine(18:2)Lysophosphatidylethanolamine(0:0/18:2)(9Z,12Z)-(2R)-1-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-hydroxypropan-2-yl octadeca-9,12-dienoate2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phosphoethanolamine1-Hydroxy-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamineorb3145397LPE(0:0/18:2omega6)
データベース識別子
- PubChem CID
- 53480926
- DTXSID
DTXSID901364347- ChEBI
CHEBI:76233
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 128 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 8
- 回転可能結合数
- 23
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 554
実験および物理化学的性質
Lipids
Lipids -> Unambiguous Lipids
Lipids -> Glycerophospholipids [GP] -> Glycerophosphoethanolamines [GP02] -> Monoacylglycerophosphoethanolamines [GP0205]
Physical DescriptionSolid
Collision Cross Section
212.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Unambiguous Lipids]
205.95 Ų [M-H]- [CCS Type: TIMS; Method: single field calibrated]
212.2 Ų [M-H]- [CCS Type: TIMS; Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]
化学と産業
薬理情報
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
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