[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate

HCID 9852308CAS 998-07-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
InChIKey: NEZDNQCXEZDCBI-WJOKGBTCSA-N
分子式: C33H66NO8P
平均分子量: 635.9 g/mol
単同位体質量: 635.4526047

概要

PE(14:0/14:0) is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

名称と識別子

優先名称: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
IUPAC: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate

名称と別名

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate((2R)-3-(2-aminoethoxy(hydroxy)phosphoryl)oxy-2-tetradecanoyloxypropyl) tetradecanoateRefChem:389792(R)-Dimyristoylphosphatidylethanolamine893-415-9998-07-21,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl ditetradecanoate1,2-ditetradecanoyl-sn-glycero-3-phosphoethanolamineDimyristoyl cephalinMFCD00036775Z37OX1ASNK

名称をさらに表示

PE(14:0/14:0)Tetradecanoic acid, (1R)-1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl esterC33H66NO8P(2r)-3-{[(S)-(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-2-(Tetradecanoyloxy)propyl TetradecanoateUNII-Z37OX1ASNK1,2-Dimyristoyl-sn-glycero-phosphoethanolamine (DMPE)Dimyristoyl phosphatidylethanolamineL-|A,|A-Dimyristoyl-|A-cephalin

データベース識別子

CAS: 998-07-2
PubChem CID: 9852308
DTXSID: DTXSID601281409
UNII: Z37OX1ASNK
EC Number: 893-415-9
Nikkaji: J53.345I

物性

構造計算による物性

XLogP: 8.1
極性表面積: 134 Å²
水素結合供与体数: 2
水素結合受容体数: 9
回転可能結合数: 35
重原子数: 43
形式電荷: 0
複雑度: 694

実験および物理化学的性質

LipidsLipids -> Glycerophospholipids [GP] -> Glycerophosphoethanolamines [GP02] -> Diacylglycerophosphoethanolamines [GP0201]

Physical DescriptionSolid

Collision Cross Section250.8 Å² [M-H]-

安全と法規制

GHS分類

GHS ClassificationNot Classified

危険有害性情報

Hazard Classes and CategoriesNot Classified

化学と産業

薬理情報

Tissue LocationsAll Tissues

Cellular LocationsExtracellular

Metabolite PathwaysPhosphatidylcholine Biosynthesis PC(14:0/14:0)