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CHEBI:230183 - PE(PGJ2/18:2(9Z,12Z))

ChEBI IDCHEBI:230183
ChEBI NamePE(PGJ2/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H72NO10P
Net Charge0
Average Mass794.020
Monoisotopic Mass793.48938
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C[C@H]1C=CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C43H72NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-28-43(48)54-39(36-53-55(49,50)52-34-33-44)35-51-42(47)27-23-20-19-22-25-37-29-32-41(46)40(37)31-30-38(45)26-21-6-4-2/h9-10,12-13,19,22,29-32,37-40,45H,3-8,11,14-18,20-21,23-28,33-36,44H2,1-2H3,(H,49,50)/b10-9-,13-12-,22-19-,31-30+/t37-,38-,39+,40+/m0/s1
InChIKeyHEIISDFJYHZENS-COQXFMGZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(PGJ2/18:2(9Z,12Z)) (CHEBI:230183) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
128426192ChemSpider
HMDB0261435HMDB