EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184587 - PC(22:1(13Z)/24:1(15Z))

ChEBI IDCHEBI:184587
ChEBI NamePC(22:1(13Z)/24:1(15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H104NO8P
Net Charge0
Average Mass926.399
Monoisotopic Mass925.74996
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h20-23,52H,6-19,24-51H2,1-5H3/b22-20-,23-21-/t52-/m1/s1
InChIKeyVDIRTDRYUOVBQD-KZHJERBTSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
PC(22:1(13Z)/24:1(15Z)) (CHEBI:184587) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-[(Z)-docos-13-enoyl]oxy-2-[(Z)-tetracos-15-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24767246ChemSpider
HMDB0008585HMDB