EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172816 - PG(16:1(9Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:172816
ChEBI NamePG(16:1(9Z)/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H71O10P
Net Charge0
Average Mass742.972
Monoisotopic Mass742.47849
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C40H71O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,22,24,37-38,41-42H,3-10,12,15,19-21,23,25-36H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-,24-22-/t37-,38+/m0/s1
InChIKeyWAMGBQWEVHZHEA-OZTJURSHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PG(16:1(9Z)/18:3(6Z,9Z,12Z)) (CHEBI:172816) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
LMGP04010212LIPID MAPS
HMDB0010591HMDB
24768090ChemSpider