EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179022 - PC(18:2(2E,4E)/16:0)

ChEBI IDCHEBI:179022
ChEBI NamePC(18:2(2E,4E)/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H80NO8P
Net Charge0
Average Mass758.075
Monoisotopic Mass757.56216
SMILESCCCCCCCCCCCCC/C=C/C=C/C(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h28,30,32,34,40H,6-27,29,31,33,35-39H2,1-5H3/b30-28+,34-32+/t40-/m1/s1
InChIKeyWQFCDFOSFXSVBR-NSSFMFGJSA-N
ChEBI Ontology
Outgoing Relation(s)
PC(18:2(2E,4E)/16:0) (CHEBI:179022) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-hexadecanoyloxy-3-[(2E,4E)-octadeca-2,4-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24822563ChemSpider
LMGP01010920LIPID MAPS