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CHEBI:230260 - PE(PGF1alpha/18:2(9Z,12Z))

ChEBI IDCHEBI:230260
ChEBI NamePE(PGF1alpha/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H78NO11P
Net Charge0
Average Mass816.067
Monoisotopic Mass815.53125
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O)COP(=O)(O)OCCN
InChIInChI=1S/C43H78NO11P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-28-43(49)55-37(35-54-56(50,51)53-32-31-44)34-52-42(48)27-23-20-19-22-26-38-39(41(47)33-40(38)46)30-29-36(45)25-21-6-4-2/h9-10,12-13,29-30,36-41,45-47H,3-8,11,14-28,31-35,44H2,1-2H3,(H,50,51)/b10-9-,13-12-,30-29+/t36-,37+,38+,39+,40-,41+/m0/s1
InChIKeyVDXQICBEUACLTF-WFHZZYOTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(PGF1alpha/18:2(9Z,12Z)) (CHEBI:230260) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]propan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
HMDB0261499HMDB
128426200ChemSpider