EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73121 - 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:73121
ChEBI Name1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z,12Z-octadecadienoyl (linoleoyl) respectively.
Last Modified3 February 2015
SubmitterSteve
DownloadsMolfile
FormulaC39H74NO8P
Net Charge0
Average Mass715.994
Monoisotopic Mass715.51520
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1
InChIKeyHBZNVZIRJWODIB-NHCUFCNUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
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-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:73121) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:73121) has functional parent linoleic acid (CHEBI:17351)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:73121) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:73121) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:73121) is tautomer of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:73008)
Incoming Relation(s)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:73008) is tautomer of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:73121)
IUPAC Name 
(19R)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms  Source
1-hexadecanoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamineChEBI
1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamineChEBI
PE(16:0/18:2(9Z,12Z))LIPID MAPS
GPEtn(16:0/18:2ω6)HMDB
PE(34:2)HMDB
Phosphatidylethanolamine(34:2)HMDB
Manual XrefsDatabases
LMGP02010042LIPID MAPS
HMDB0008928HMDB
CPD-8284MetaCyc
Registry NumbersSources
Reaxys:6093281Reaxys