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CHEBI:230278 - PE(6 keto-PGF1alpha/P-18:1(11Z))

ChEBI IDCHEBI:230278
ChEBI NamePE(6 keto-PGF1alpha/P-18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H78NO11P
Net Charge0
Average Mass816.067
Monoisotopic Mass815.53125
SMILESCCCCCC/C=C\CCCCCCCC/C=C/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)OCCN
InChIInChI=1S/C43H78NO11P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-52-38(35-55-56(50,51)54-31-29-44)34-53-43(49)26-22-21-25-37(46)32-40-39(41(47)33-42(40)48)28-27-36(45)24-20-6-4-2/h10-11,23,27-28,30,36,38-42,45,47-48H,3-9,12-22,24-26,29,31-35,44H2,1-2H3,(H,50,51)/b11-10-,28-27+,30-23+/t36-,38+,39+,40+,41+,42-/m0/s1
InChIKeyPCZYKNVLZYIYBV-POKMSRELSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(6 keto-PGF1alpha/P-18:1(11Z)) (CHEBI:230278) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1E,11Z)-octadeca-1,11-dienoxy]propyl] 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate