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CHEBI:86103 - 1-docosanoyl-2-tetradecanoyl-sn-glycero-3-phosphocholine

Default Structure
ChEBI IDCHEBI:86103
ChEBI Name1-docosanoyl-2-tetradecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-docosanoyl-2-tetradecanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 36:0 in which the acyl groups specified at positions 1 and 2 are docosanoyl and tetradecanoyl respectively.
Last Modified3 September 2015
Submitternamrata
DownloadsMolfile
FormulaC44H88NO8P
Net Charge0
Average Mass790.161
Monoisotopic Mass789.62476
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
InChIKeyJFNNIQMJYCUZKY-HUESYALOSA-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-docosanoyl-2-tetradecanoyl-sn-glycero-3-phosphocholine (CHEBI:86103) has functional parent docosanoic acid (CHEBI:28941)
1-docosanoyl-2-tetradecanoyl-sn-glycero-3-phosphocholine (CHEBI:86103) is a phosphatidylcholine 36:0 (CHEBI:66858)
1-docosanoyl-2-tetradecanoyl-sn-glycero-3-phosphocholine (CHEBI:86103) is a tetradecanoate ester (CHEBI:87691)
IUPAC Name 
(2R)-3-(docosanoyloxy)-2-(tetradecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-Behenoyl-2-myristoyl-sn-glycero-3-phosphocholineHMDB
GPCho(22:0/14:0)HMDB
PC(22:0/14:0)LIPID MAPS
PC(22:0/14:0)HMDB
Phosphatidylcholine(22:0/14:0)HMDB
Manual XrefsDatabases
HMDB0008525HMDB
LMGP01011085LIPID MAPS