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

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ChEBI Name 1-hexadecyl-2-formyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:131688
ChEBI ASCII Name 1-hexadecyl-2-formyl-sn-glycero-3-phosphocholine
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C25H52NO7P
Net Charge 0
Average Mass 509.658
Monoisotopic Mass 509.34814
InChI InChI=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
InChIKey BBASNTQPDXPDFB-RUZDIDTESA-N
SMILES C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(=O)[H])COCCCCCCCCCCCCCCCC
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-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 Sources
PC(O-16:0/1:0) ChEBI
phosphatidylcholine (O-16:0/1:0) ChEBI
Manual Xrefs Databases
24822851 ChemSpider
LMGP01020028 LIPID MAPS
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Last Modified
16 November 2016