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CHEBI:230901 - PA(13:0/PGD1)

ChEBI IDCHEBI:230901
ChEBI NamePA(13:0/PGD1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H65O11P
Net Charge0
Average Mass704.879
Monoisotopic Mass704.42645
SMILESCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC[C@H]1[C@@H](O)CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C36H65O11P/c1-3-5-7-8-9-10-11-12-13-18-22-35(40)45-27-30(28-46-48(42,43)44)47-36(41)23-19-15-14-17-21-31-32(34(39)26-33(31)38)25-24-29(37)20-16-6-4-2/h24-25,29-33,37-38H,3-23,26-28H2,1-2H3,(H2,42,43,44)/b25-24+/t29-,30+,31+,32+,33-/m0/s1
InChIKeySPJQNHXCAPTBFT-FEOQWCHYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(13:0/PGD1) (CHEBI:230901) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]heptanoyloxy]-3-phosphonooxypropyl] tridecanoate
Manual XrefsDatabases
128426444ChemSpider
HMDB0262944HMDB