EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196776 - PC(13:0/18:1(9Z))

ChEBI IDCHEBI:196776
ChEBI NamePC(13:0/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H76NO8P
Net Charge0
Average Mass718.010
Monoisotopic Mass717.53086
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C39H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-23-17-15-13-11-9-7-2/h19-20,37H,6-18,21-36H2,1-5H3/b20-19-/t37-/m1/s1
InChIKeyJLKJDPHPYLQTAM-PLOGQBHYSA-N
ChEBI Ontology
Outgoing Relation(s)
PC(13:0/18:1(9Z)) (CHEBI:196776) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
75319922ChemSpider
LMGP01011347LIPID MAPS