EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185061 - PG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))

ChEBI IDCHEBI:185061
ChEBI NamePG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H77O10P
Net Charge0
Average Mass797.064
Monoisotopic Mass796.52544
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-43(47)51-39-42(40-53-55(49,50)52-38-41(46)37-45)54-44(48)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24-25,41-42,45-46H,3-10,12,15,19,22-23,26-40H2,1-2H3,(H,49,50)/b13-11-,16-14-,18-17-,21-20-,25-24-/t41-,42+/m0/s1
InChIKeyVQIIDGUQUIHKAA-GARQRFBTSA-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(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)) (CHEBI:185061) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
113377488ChemSpider
LMGP04010794LIPID MAPS