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CHEBI:84752 - 1-[(9E)-hexadecenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:84752
ChEBI Name1-[(9E)-hexadecenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(9E)-hexadecenoyl]-sn-glycero-3-phosphocholine
DefinitionA lysophosphatidylcholine 16:1 in which the 1-acyl group is (9E)-hexadecenoyl.
Last Modified23 February 2016
Submitternamrata
DownloadsMolfile
FormulaC24H48NO7P
Net Charge0
Average Mass493.622
Monoisotopic Mass493.31684
SMILESCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/b11-10+/t23-/m1/s1
InChIKeyLFUDDCMNKWEORN-BREAQWACSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-[(9E)-hexadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:84752) has role mouse metabolite (CHEBI:75771)
1-[(9E)-hexadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:84752) is a lysophosphatidylcholine(16:1/0:0) (CHEBI:91305)
IUPAC Name 
(2R)-3-[(9E)-hexadec-9-enoyloxy]-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate
Synonym  Source
PC(16:1(9E)/0:0)LIPID MAPS
Manual XrefsDatabases
LMGP01050021LIPID MAPS