EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86107 - 1-tetradecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86107
ChEBI Name1-tetradecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-tetradecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 36:0 in which the acyl groups at positions 1 and 2 are tetradecanoyl and docosanoyl respectively.
Last Modified3 September 2015
Submitternamrata
DownloadsMolfile
FormulaC44H88NO8P
Net Charge0
Average Mass790.161
Monoisotopic Mass789.62476
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
InChIKeyKNQNJCODLDRFSM-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-tetradecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86107) has functional parent docosanoic acid (CHEBI:28941)
1-tetradecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86107) is a phosphatidylcholine 36:0 (CHEBI:66858)
1-tetradecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86107) is a tetradecanoate ester (CHEBI:87691)
IUPAC Name 
(2R)-2-(docosanoyloxy)-3-(tetradecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-Myristoyl-2-behenoyl-sn-glycero-3-phosphocholineHMDB
GPCho(14:0/22:0)HMDB
PC(14:0/22:0)ChEBI
Phosphatidylcholine(14:0/22:0)HMDB
Manual XrefsDatabases
HMDB0007886HMDB
LMGP01010511LIPID MAPS