EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185694 - PG(P-20:0/16:1(9Z))

ChEBI IDCHEBI:185694
ChEBI NamePG(P-20:0/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H81O9P
Net Charge0
Average Mass761.075
Monoisotopic Mass760.56182
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C42H81O9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-48-38-41(39-50-52(46,47)49-37-40(44)36-43)51-42(45)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h14,16,33,35,40-41,43-44H,3-13,15,17-32,34,36-39H2,1-2H3,(H,46,47)/b16-14-,35-33-/t40-,41+/m0/s1
InChIKeyLLOSTGDPDYEKHW-QWKUJBMHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PG(P-20:0/16:1(9Z)) (CHEBI:185694) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] (Z)-hexadec-9-enoate
Manual XrefsDatabases
LMGP04030063LIPID MAPS
113377783ChemSpider