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CHEBI:231115 - PG(18:1(11Z)/PGF1alpha)

ChEBI IDCHEBI:231115
ChEBI NamePG(18:1(11Z)/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H81O13P
Net Charge0
Average Mass849.093
Monoisotopic Mass848.54148
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C44H81O13P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-27-43(50)54-34-38(35-56-58(52,53)55-33-37(47)32-45)57-44(51)28-24-20-19-22-26-39-40(42(49)31-41(39)48)30-29-36(46)25-21-6-4-2/h10-11,29-30,36-42,45-49H,3-9,12-28,31-35H2,1-2H3,(H,52,53)/b11-10-,30-29+/t36-,37-,38+,39+,40+,41-,42+/m0/s1
InChIKeyZSZFMGDDOKMGHO-DWDBRFNNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PG(18:1(11Z)/PGF1alpha) (CHEBI:231115) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] (Z)-octadec-11-enoate
Manual XrefsDatabases
HMDB0268963HMDB
128427489ChemSpider