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CHEBI:85962 - 1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine

ChEBI IDCHEBI:85962
ChEBI Name1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine
Stars
ASCII Name1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine
DefinitionA 1,2-diacyl-sn-glycero-3-phospho-N-methylethanolamine in which the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3.
Last Modified8 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC42H80NO8P
Net Charge0
Average Mass758.075
Monoisotopic Mass757.56216
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)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 Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine (CHEBI:85962) has functional parent oleic acid (CHEBI:16196)
1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine (CHEBI:85962) has role human metabolite (CHEBI:77746)
1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine (CHEBI:85962) is a 1,2-diacyl-sn-glycero-3-phospho-N-methylethanolamine (CHEBI:64596)
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)
Incoming Relation(s)
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)
IUPAC Name 
(9R,20Z)-6-hydroxy-6,12-dioxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-20-en-9-yl (9Z)-octadec-9-enoate
Synonyms  Source
1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-N-methylethanolamineChEBI
N-Methyl-1,2-dioleoylphosphatidylethanolamineChemIDplus
PE-NMe(18:1/18:1)LIPID MAPS
PE-NMe(18:1(9Z)/18:1(9Z))LIPID MAPS
MMPE(18:1(9Z)/18:1(9Z))HMDB
1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine-N-monomethylHMDB
Manual XrefsDatabases
LMGP02010338LIPID MAPS
HMDB0010565HMDB
Registry NumbersSources
CAS:96687-23-9ChemIDplus
Citations