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

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ChEBI Name 1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:84845
ChEBI ASCII Name 1,2-di-[(6Z)-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 (6Z)-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/h23-26,39H,3-22,27-38,42H2,1-2H3,(H,45,46)/b25-23-,26-24-/t39-/m1/s1
InChIKey PFJVXUYPMJAMEJ-MLEXSCAZSA-N
SMILES CCCCCCCCCCC\C=C/CCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCC\C=C/CCCCCCCCCCC
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-[(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 Sources
PE(18:1(6Z)/18:1(6Z)) LIPID MAPS
PE(18:1/18:1) LIPID MAPS
Manual Xref Database
LMGP02010109 LIPID MAPS
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Last Modified
17 February 2015