EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185718 - PG(P-16:0/20:3(8Z,11Z,14Z))

ChEBI IDCHEBI:185718
ChEBI NamePG(P-16:0/20:3(8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H77O9P
Net Charge0
Average Mass757.043
Monoisotopic Mass756.53052
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C42H77O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-42(45)51-41(39-50-52(46,47)49-37-40(44)36-43)38-48-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,33,35,40-41,43-44H,3-10,12,14-16,18,20,23-32,34,36-39H2,1-2H3,(H,46,47)/b13-11-,19-17-,22-21-,35-33-/t40-,41+/m0/s1
InChIKeyNMUBSPLMQBOPGV-SHOPDDFBSA-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-16:0/20:3(8Z,11Z,14Z)) (CHEBI:185718) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
113377742ChemSpider
LMGP04030021LIPID MAPS