EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178369 - PC(13:0/16:1(9Z))

ChEBI IDCHEBI:178369
ChEBI NamePC(13:0/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H72NO8P
Net Charge0
Average Mass689.956
Monoisotopic Mass689.49955
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C37H72NO8P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38(3,4)5)33-43-36(39)29-27-25-23-21-17-15-13-11-9-7-2/h16,18,35H,6-15,17,19-34H2,1-5H3/b18-16-/t35-/m1/s1
InChIKeyDTUMSOBOXIHQFD-AKTZZRFPSA-N
ChEBI Ontology
Outgoing Relation(s)
PC(13:0/16:1(9Z)) (CHEBI:178369) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01011343LIPID MAPS