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CHEBI:230881 - PG(6 keto-PGF1alpha/20:1(11Z))

ChEBI IDCHEBI:230881
ChEBI NamePG(6 keto-PGF1alpha/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H83O14P
Net Charge0
Average Mass891.130
Monoisotopic Mass890.55204
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC(=O)C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C46H83O14P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-28-46(54)60-40(36-59-61(55,56)58-34-39(50)33-47)35-57-45(53)27-24-23-26-38(49)31-42-41(43(51)32-44(42)52)30-29-37(48)25-21-6-4-2/h12-13,29-30,37,39-44,47-48,50-52H,3-11,14-28,31-36H2,1-2H3,(H,55,56)/b13-12-,30-29+/t37-,39-,40+,41+,42+,43+,44-/m0/s1
InChIKeyPSWQIOKPWNCISK-VCJNALFHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PG(6 keto-PGF1alpha/20:1(11Z)) (CHEBI:230881) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-1-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-icos-11-enoate
Manual XrefsDatabases
128427586ChemSpider
HMDB0269520HMDB