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CHEBI:137214 - PnC(16:0/18:1(9Z))

ChEBI IDCHEBI:137214
ChEBI NamePnC(16:0/18:1(9Z))
Stars
ASCII NamePnC(16:0/18:1(9Z))
DefinitionA phosphonocholine 34:1 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z-octadecenoyl (oleoyl) respectively.
Last Modified31 May 2017
Submittermwilliams
DownloadsMolfile
FormulaC42H82NO7P
Net Charge0
Average Mass744.092
Monoisotopic Mass743.58289
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(=O)([O-])CC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)50-40(39-49-51(46,47)37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
InChIKeyFZBQJTJKBOUFOT-VYOBOKEXSA-N
ChEBI Ontology
Outgoing Relation(s)
PnC(16:0/18:1(9Z)) (CHEBI:137214) is a phosphonocholine 34:1 (CHEBI:137213)
Synonyms  Source
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholineLIPID MAPS
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphonocholineChEBI
Manual XrefsDatabases
LMGP16010001LIPID MAPS