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CHEBI:187782 - OHODA-PA

ChEBI IDCHEBI:187782
ChEBI NameOHODA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H59O10P
Net Charge0
Average Mass646.799
Monoisotopic Mass646.38458
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC(O)/C=C/C=O
InChIInChI=1S/C33H59O10P/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/h9-10,22,24,27,30-31,35H,2-8,11-21,23,25-26,28-29H2,1H3,(H2,38,39,40)/b10-9-,24-22+/t30?,31-/m1/s1
InChIKeyJKUOYOSPPXSBJG-YTBWUKFBSA-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)
OHODA-PA (CHEBI:187782) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(E)-9-hydroxy-12-oxododec-10-enoyl]oxy-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
113381022ChemSpider
LMGP20070035LIPID MAPS