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CHEBI:190098 - 16-phenoxy tetranor PGF2alpha cyclopropyl methyl amide

ChEBI IDCHEBI:190098
ChEBI Name16-phenoxy tetranor PGF2alpha cyclopropyl methyl amide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37NO5
Net Charge0
Average Mass443.584
Monoisotopic Mass443.26717
SMILESO=C(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2ccccc2)[C@H](O)C[C@@H]1O)NCC1CC1
InChIInChI=1S/C26H37NO5/c28-20(18-32-21-8-4-3-5-9-21)14-15-23-22(24(29)16-25(23)30)10-6-1-2-7-11-26(31)27-17-19-12-13-19/h1,3-6,8-9,14-15,19-20,22-25,28-30H,2,7,10-13,16-18H2,(H,27,31)/b6-1-,15-14+/t20-,22-,23-,24+,25-/m1/s1
InChIKeyKVKRYMGBWCAHHK-KRHYTXONSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
16-phenoxy tetranor PGF2alpha cyclopropyl methyl amide (CHEBI:190098) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-N-(cyclopropylmethyl)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enamide
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