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CHEBI:186988 - 16(R)-AFP 07 (free acid)

ChEBI IDCHEBI:186988
ChEBI Name16(R)-AFP 07 (free acid)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30F2O5
Net Charge0
Average Mass412.473
Monoisotopic Mass412.20613
SMILES[H][C@@]12[C@@H](/C=C/[C@@H](O)[C@H](C)CC#CCC)[C@H](O)C[C@]1([H])O/C(=C/CCCC(=O)O)C2(F)F
InChIInChI=1S/C22H30F2O5/c1-3-4-5-8-14(2)16(25)12-11-15-17(26)13-18-21(15)22(23,24)19(29-18)9-6-7-10-20(27)28/h9,11-12,14-18,21,25-26H,3,6-8,10,13H2,1-2H3,(H,27,28)/b12-11+,19-9+/t14-,15+,16-,17-,18+,21-/m1/s1
InChIKeyPVHIRYQSPDZLLG-HWMGRDFZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
16(R)-AFP 07 (free acid) (CHEBI:186988) is a prostanoid (CHEBI:26347)
IUPAC Name 
(5E)-5-[(3aR,4R,5R,6aS)-3,3-diluoro-5-hydroxy-4-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]uran-2-ylidene]pentanoic acid
Manual XrefsDatabases
29341900ChemSpider