EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179027 - PC(16:0/18:2(6Z,9Z))

ChEBI IDCHEBI:179027
ChEBI NamePC(16:0/18:2(6Z,9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H80NO8P
Net Charge0
Average Mass758.075
Monoisotopic Mass757.56216
SMILESCCCCCCCC/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
InChIKeyNVWYLRLKCCCUBZ-PNKFPDHGSA-N
ChEBI Ontology
Outgoing Relation(s)
PC(16:0/18:2(6Z,9Z)) (CHEBI:179027) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01010589LIPID MAPS
4943719ChemSpider
Registry NumbersSources
CAS:130614-06-1ChemIDplus