CHEBI:84839 - 1,2-di-[(9Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-di-[(9Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:84839
ChEBI ASCII Name 1,2-di-[(9Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine
Definition A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (9Z)-octadecenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C41H78NO8P
Net Charge 0
Average Mass 744.03370
Monoisotopic Mass 743.54651
InChI InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
InChIKey MWRBNPKJOOWZPW-NYVOMTAGSA-N
SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,2-di-[(9Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:84839) has functional parent oleic acid (CHEBI:16196)
1,2-di-[(9Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:84839) has role mouse metabolite (CHEBI:75771)
1,2-di-[(9Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:84839) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
(2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z)-octadec-9-enoate
Synonyms Sources
GPEtn(18:1/18:1) HMDB
GPEtn(18:1n9/18:1n9) HMDB
GPEtn(18:1w9/18:1w9) HMDB
PE(18:1(9Z)/18:1(9Z)) LIPID MAPS
PE(18:1/18:1) LIPID MAPS
Phophatidylethanolamine(18:1n9/18:1n9) HMDB
Phophatidylethanolamine(18:1w9/18:1w9) HMDB
Manual Xrefs Databases
HMDB0009059 HMDB
LMGP02010052 LIPID MAPS
View more database links
Last Modified
17 February 2015