EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187835 - PON-PA

ChEBI IDCHEBI:187835
ChEBI NamePON-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H53O9P
Net Charge0
Average Mass564.697
Monoisotopic Mass564.34272
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC=O
InChIInChI=1S/C28H53O9P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-27(30)35-24-26(25-36-38(32,33)34)37-28(31)22-19-16-13-14-17-20-23-29/h23,26H,2-22,24-25H2,1H3,(H2,32,33,34)/t26-/m1/s1
InChIKeyDQLZFJTVJNXVFN-AREMUKBSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PON-PA (CHEBI:187835) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-(9-oxononanoyloxy)-3-phosphonooxypropyl] hexadecanoate
Manual XrefsDatabases
LMGP20070013LIPID MAPS
113381000ChemSpider