EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86278 - 1-undecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86278
ChEBI Name1-undecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-undecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 24:0 in which the acyl groups specified at positions 1 and 2 are undecanoyl and tridecanoyl respectively.
Last Modified1 July 2015
Submitternamrata
DownloadsMolfile
FormulaC32H64NO8P
Net Charge0
Average Mass621.837
Monoisotopic Mass621.43695
SMILESCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-17-19-21-23-25-32(35)41-30(29-40-42(36,37)39-27-26-33(3,4)5)28-38-31(34)24-22-20-18-15-13-11-9-7-2/h30H,6-29H2,1-5H3/t30-/m1/s1
InChIKeyJSTOGINWIJTJIQ-SSEXGKCCSA-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-undecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine (CHEBI:86278) has functional parent tridecanoic acid (CHEBI:45919)
1-undecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine (CHEBI:86278) has functional parent undecanoic acid (CHEBI:32368)
1-undecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine (CHEBI:86278) is a phosphatidylcholine 24:0 (CHEBI:85564)
IUPAC Name 
(2R)-2-(tridecanoyloxy)-3-(undecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate