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CHEBI:181147 - (E)-4-Hydroxy-4-[4-hydroxy-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid

ChEBI IDCHEBI:181147
ChEBI Name(E)-4-Hydroxy-4-[4-hydroxy-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCC(=O)CCC/C=C/C1CC(O)CC1C(O)/C=C/C(=O)O
InChIInChI=1S/C16H24O5/c1-11(17)5-3-2-4-6-12-9-13(18)10-14(12)15(19)7-8-16(20)21/h4,6-8,12-15,18-19H,2-3,5,9-10H2,1H3,(H,20,21)/b6-4+,8-7+
InChIKeyXOBLMJHTXIQOHS-GFGVWQOPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(E)-4-Hydroxy-4-[4-hydroxy-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid (CHEBI:181147) is a hydroxy fatty acid (CHEBI:24654)
IUPAC Name 
(E)-4-hydroxy-4-[4-hydroxy-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid
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29814048ChemSpider