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CHEBI:86219 - 1-octadecanoyl-2-[(15Z)-tetracosenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86219
ChEBI Name1-octadecanoyl-2-[(15Z)-tetracosenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecanoyl-2-[(15Z)-tetracosenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 42:1 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (15Z)-tetracosenoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC50H98NO8P
Net Charge0
Average Mass872.307
Monoisotopic Mass871.70301
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h20,22,48H,6-19,21,23-47H2,1-5H3/b22-20-/t48-/m1/s1
InChIKeyPAHPUCKPYBHMBM-RURDTVAGSA-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-octadecanoyl-2-[(15Z)-tetracosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86219) has functional parent (15Z)-tetracosenoic acid (CHEBI:44247)
1-octadecanoyl-2-[(15Z)-tetracosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86219) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-[(15Z)-tetracosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86219) is a phosphatidylcholine 42:1 (CHEBI:66970)
IUPAC Name 
(2R)-3-(octadecanoyloxy)-2-{[(15Z)-tetracos-15-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(18:0/24:1(15Z))HMDB
Phosphatidylcholine(18:0/24:1n9)HMDB
PC(18:0/24:1w9)HMDB
PC(18:0/24:1n9)HMDB
GPCho(18:0/24:1n9)HMDB
Phosphatidylcholine(18:0/24:1w9)HMDB
Manual XrefsDatabases
LMGP01010826LIPID MAPS
HMDB0008059HMDB