EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184889 - PG(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:184889
ChEBI NamePG(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H83O10P
Net Charge0
Average Mass839.145
Monoisotopic Mass838.57239
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C47H83O10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-47(51)57-45(43-56-58(52,53)55-41-44(49)40-48)42-54-46(50)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22-24,27,29,44-45,48-49H,3-10,12,14-16,18,21,25-26,28,30-43H2,1-2H3,(H,52,53)/b13-11-,19-17-,23-22-,24-20-,29-27-/t44-,45+/m0/s1
InChIKeyADQMPOKGRIRADO-IVEPSMRTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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(19:1(9Z)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:184889) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-nonadec-9-enoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
113377214ChemSpider
LMGP04010509LIPID MAPS