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CHEBI:86280 - 1-tridecanoyl-2-undecanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86280
ChEBI Name1-tridecanoyl-2-undecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-tridecanoyl-2-undecanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 24:0 in which the acyl groups specified at positions 1 and 2 are tridecanoyl and undecanoyl respectively.
Last Modified1 July 2015
Submitternamrata
DownloadsMolfile
FormulaC32H64NO8P
Net Charge0
Average Mass621.837
Monoisotopic Mass621.43695
SMILESCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC
InChIInChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-17-19-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-18-15-13-11-9-7-2/h30H,6-29H2,1-5H3/t30-/m1/s1
InChIKeyIWLSXHGGMHVOCX-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-tridecanoyl-2-undecanoyl-sn-glycero-3-phosphocholine (CHEBI:86280) has functional parent tridecanoic acid (CHEBI:45919)
1-tridecanoyl-2-undecanoyl-sn-glycero-3-phosphocholine (CHEBI:86280) has functional parent undecanoic acid (CHEBI:32368)
1-tridecanoyl-2-undecanoyl-sn-glycero-3-phosphocholine (CHEBI:86280) is a phosphatidylcholine 24:0 (CHEBI:85564)
IUPAC Name 
(2R)-3-(tridecanoyloxy)-2-(undecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate