CHEBI:90483 - 1-(1Z-octadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine

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ChEBI Name 1-(1Z-octadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:90483
ChEBI ASCII Name 1-(1Z-octadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine
Definition A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkenyl and acyl groups are specified asas (1Z)-octadecenyl and linoleoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C41H78NO7P
Net Charge 0
Average Mass 728.036
Monoisotopic Mass 727.55159
InChI InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,33,36,40H,3-11,13,15-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,20-18-,36-33-/t40-/m1/s1
InChIKey XVXISDREVDGQPX-PISDLAQISA-N
SMILES P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(=O)(OCCN)O
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).
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ChEBI Ontology
Outgoing 1-(1Z-octadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:90483) has functional parent linoleic acid (CHEBI:17351)
1-(1Z-octadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:90483) has role mouse metabolite (CHEBI:75771)
1-(1Z-octadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:90483) is a 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:17476)
1-(1Z-octadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:90483) is tautomer of 1-(1Z-octadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:133675)
Incoming 1-(1Z-octadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:133675) is tautomer of 1-(1Z-octadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:90483)
IUPAC Name
(17Z,21R)-27-amino-24-hydroxy-24-oxo-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms Sources
1-(1Z-octadecenyl)-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoethanolamine LIPID MAPS
PE P-18:0/18:2 ChEBI
PE(P-18:0/18:2(9Z,12Z)) LIPID MAPS
Manual Xrefs Databases
HMDB0011376 HMDB
LMGP02030046 LIPID MAPS
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Last Modified
07 October 2016