EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196741 - PC(13:0/17:1(9Z))

ChEBI IDCHEBI:196741
ChEBI NamePC(13:0/17:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H74NO8P
Net Charge0
Average Mass703.983
Monoisotopic Mass703.51520
SMILESCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C38H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-17-15-13-11-9-7-2/h18-19,36H,6-17,20-35H2,1-5H3/b19-18-/t36-/m1/s1
InChIKeyYGYPKGROQZMYMN-UAIAYBLDSA-N
ChEBI Ontology
Outgoing Relation(s)
PC(13:0/17:1(9Z)) (CHEBI:196741) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01011344LIPID MAPS
113374903ChemSpider