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CHEBI:131688 - 1-hexadecyl-2-formyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:131688
ChEBI Name1-hexadecyl-2-formyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecyl-2-formyl-sn-glycero-3-phosphocholine
DefinitionA 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and formyl respectively.
Last Modified16 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC25H52NO7P
Net Charge0
Average Mass509.665
Monoisotopic Mass509.34814
SMILES[H]C(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C25H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30-22-25(31-24-27)23-33-34(28,29)32-21-19-26(2,3)4/h24-25H,5-23H2,1-4H3/t25-/m1/s1
InChIKeyBBASNTQPDXPDFB-RUZDIDTESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS334)
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-hexadecyl-2-formyl-sn-glycero-3-phosphocholine (CHEBI:131688) has role mouse metabolite (CHEBI:75771)
1-hexadecyl-2-formyl-sn-glycero-3-phosphocholine (CHEBI:131688) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
IUPAC Name 
(2R)-2-(formyloxy)-3-(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(O-16:0/1:0)ChEBI
phosphatidylcholine (O-16:0/1:0)ChEBI
Manual XrefsDatabases
24822851ChemSpider
LMGP01020028LIPID MAPS