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CHEBI:84845 - 1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:84845
ChEBI Name1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (6Z)-octadecenoyl respectively.
Last Modified17 February 2015
Submitternamrata
DownloadsMolfile
FormulaC41H78NO8P
Net Charge0
Average Mass744.048
Monoisotopic Mass743.54651
SMILESCCCCCCCCCCC/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\CCCCCCCCCCC
InChIInChI=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/h23-26,39H,3-22,27-38,42H2,1-2H3,(H,45,46)/b25-23-,26-24-/t39-/m1/s1
InChIKeyPFJVXUYPMJAMEJ-MLEXSCAZSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:84845) has functional parent petroselinic acid (CHEBI:28194)
1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:84845) has role mouse metabolite (CHEBI:75771)
1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:84845) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
(2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z)-octadec-6-enoyloxy]propyl (6Z)-octadec-6-enoate
Synonyms  Source
PE(18:1/18:1)LIPID MAPS
PE(18:1(6Z)/18:1(6Z))LIPID MAPS
Manual XrefsDatabases
LMGP02010109LIPID MAPS