EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169556 - PG(14:0/19:1(9Z))

ChEBI IDCHEBI:169556
ChEBI NamePG(14:0/19:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H75O10P
Net Charge0
Average Mass734.993
Monoisotopic Mass734.50979
SMILESCCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C39H75O10P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-39(43)49-37(35-48-50(44,45)47-33-36(41)32-40)34-46-38(42)30-28-26-24-22-20-14-12-10-8-6-4-2/h17-18,36-37,40-41H,3-16,19-35H2,1-2H3,(H,44,45)/b18-17-/t36-,37+/m0/s1
InChIKeyNWKLMPYOMDACNH-FMECKOKGSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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(14:0/19:1(9Z)) (CHEBI:169556) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (Z)-nonadec-9-enoate
Manual XrefsDatabases
LMGP04010101LIPID MAPS