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CHEBI:86229 - 1-hexadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86229
ChEBI Name1-hexadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-34:0 in which the alkyl and acyl groups at positions 1 and 2 are hexadecyl and octadecanoyl respectively.
Last Modified9 April 2020
Submitternamrata
DownloadsMolfile
FormulaC42H86NO7P
Net Charge0
Average Mass748.124
Monoisotopic Mass747.61419
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3/t41-/m1/s1
InChIKeyPXPSGTINXJQLBR-VQJSHJPSSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-hexadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86229) has functional parent octadecanoic acid (CHEBI:28842)
1-hexadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86229) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-hexadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86229) is a phosphatidylcholine O-34:0 (CHEBI:67077)
IUPAC Name 
(2R)-3-(hexadecyloxy)-2-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(O-16:0/18:0)LIPID MAPS
PC(O-34:0)HMDB
1-Palmityl-2-stearoyl-sn-glycero-3-phosphocholineHMDB
UniProt Name  Source
1-O-hexadecyl-2-octadecanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01020033LIPID MAPS
HMDB0013405HMDB