EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178290 - PC(12:0/16:1(9Z))

ChEBI IDCHEBI:178290
ChEBI NamePC(12:0/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H70NO8P
Net Charge0
Average Mass675.929
Monoisotopic Mass675.48390
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C36H70NO8P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37(3,4)5)32-42-35(38)28-26-24-22-20-15-13-11-9-7-2/h16-17,34H,6-15,18-33H2,1-5H3/b17-16-/t34-/m1/s1
InChIKeyYTBUBHOCZIYJCN-ALNMSFLZSA-N
ChEBI Ontology
Outgoing Relation(s)
PC(12:0/16:1(9Z)) (CHEBI:178290) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-dodecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
59694870ChemSpider
LMGP01011319LIPID MAPS