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CHEBI:187667 - OKODA-PA

ChEBI IDCHEBI:187667
ChEBI NameOKODA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H57O10P
Net Charge0
Average Mass644.783
Monoisotopic Mass644.36893
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC(=O)/C=C/C=O
InChIInChI=1S/C33H57O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-32(36)41-28-31(29-42-44(38,39)40)43-33(37)26-21-18-15-16-19-23-30(35)24-22-27-34/h9-10,22,24,27,31H,2-8,11-21,23,25-26,28-29H2,1H3,(H2,38,39,40)/b10-9-,24-22+/t31-/m1/s1
InChIKeyABQNJNYAIISVFZ-HVACQRAMSA-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)
OKODA-PA (CHEBI:187667) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(E)-9,12-dioxododec-10-enoyl]oxy-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP20070033LIPID MAPS
113381020ChemSpider