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

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ChEBI Name 1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine
ChEBI ID CHEBI:85962
ChEBI ASCII Name 1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C42H80NO8P
Net Charge 0
Average Mass 758.06030
Monoisotopic Mass 757.56216
InChI InChI=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
InChIKey LPXFOQGBESUDAX-NLEYBKGJSA-N
SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCNC)OC(=O)CCCCCCC\C=C/CCCCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via phosphatidyl-N-methylethanolamine )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidyl-N-methylethanolamine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-N-methylethanolamine ChEBI
1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine-N-monomethyl HMDB
MMPE(18:1(9Z)/18:1(9Z)) HMDB
N-Methyl-1,2-dioleoylphosphatidylethanolamine ChemIDplus
PE-NMe(18:1(9Z)/18:1(9Z)) LIPID MAPS
PE-NMe(18:1/18:1) LIPID MAPS
Manual Xrefs Databases
HMDB0010565 HMDB
LMGP02010338 LIPID MAPS
View more database links
Registry Number Type Source
96687-23-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12431977 PubMed citation Europe PMC
15927961 PubMed citation Europe PMC
Last Modified
08 June 2015