EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85679 - 1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion

ChEBI IDCHEBI:85679
ChEBI Name1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion
Stars
ASCII Name1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion
DefinitionA 1,2-diacyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion in which the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3.
Last Modified8 June 2015
Submitternhn
DownloadsMolfile
FormulaC42H80NO8P
Net Charge0
Average Mass758.075
Monoisotopic Mass757.56216
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH2+]C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C42H80NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,40,43H,4-17,22-39H2,1-3H3,(H,46,47)/b20-18-,21-19-/t40-/m1/s1
InChIKeyLPXFOQGBESUDAX-NLEYBKGJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (12431977)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion (CHEBI:85679) has role human metabolite (CHEBI:77746)
1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion (CHEBI:85679) is a 1,2-diacyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion (CHEBI:64573)
1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion (CHEBI:85679) is tautomer of 1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine (CHEBI:85962)
Incoming Relation(s)
1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine (CHEBI:85962) is tautomer of 1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion (CHEBI:85679)
IUPAC Name 
(2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(methylazaniumyl)ethyl phosphate
Synonyms  Source
1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-methylSUBMITTER
1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-N-methylethanolamine zwitterionChEBI
UniProt Name  Source
1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-N-methylethanolamineUniProt
Citations