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CHEBI:73124 - 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:73124
ChEBI Name1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1-hexadecanoyl-2-(9Z-octadecenoyl)-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-octadecenoyl (oleoyl) respectively.
Last Modified11 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC39H76NO8P
Net Charge0
Average Mass718.010
Monoisotopic Mass717.53086
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C39H76NO8P/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/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
InChIKeyFHQVHHIBKUMWTI-OTMQOFQLSA-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-octadecenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:73124) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:73124) has functional parent oleic acid (CHEBI:16196)
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:73124) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:73124) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:73124) is tautomer of 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:73007)
Incoming Relation(s)
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:73007) is tautomer of 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:73124)
IUPAC Name 
(19R)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl (9Z)-octadec-9-enoate
Synonyms  Source
1-hexadecanoyl-2-oleoyl-sn-glycero-3-phosphoethanolamineChEBI
PE(16:0/18:1(9Z))LIPID MAPS
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamineChEBI
(R)-1-((((2-Aminoethoxy)hydroxyphosphinyl)oxy)methyl)-2-((1-oxohexadecyl)oxy)ethyl oleateChemIDplus
PE(16:0/18:1)LIPID MAPS
GPEtn(16:0/18:1ω9)HMDB
Manual XrefsDatabases
LMGP02010009LIPID MAPS
HMDB0008927HMDB
C13877KEGG COMPOUND
CPD-8283MetaCyc
Registry NumbersSources
Reaxys:2033440Reaxys
CAS:26662-94-2ChemIDplus
Citations