CHEBI:210771 - (2R,3S)-2-hydroxy-3-phenyl-4-oxoheptanedioic acid

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ChEBI Name (2R,3S)-2-hydroxy-3-phenyl-4-oxoheptanedioic acid
ChEBI ID CHEBI:210771
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C13H14O6
Net Charge 0
Average Mass 266.249
Monoisotopic Mass 266.07904
InChI InChI=1S/C13H14O6/c14-9(6-7-10(15)16)11(12(17)13(18)19)8-4-2-1-3-5-8/h1-5,11-12,17H,6-7H2,(H,15,16)(H,18,19)/t11-,12-/m1/s1
InChIKey GCQJMNVLMWUZMM-VXGBXAGGSA-N
SMILES O=C(O)[C@H](O)[C@H](C1=CC=CC=C1)C(=O)CCC(=O)O
Metabolite of Species Details
Cytospora (NCBI:txid117544) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (2R,3S)-2-hydroxy-3-phenyl-4-oxoheptanedioic acid (CHEBI:210771) is a benzenes (CHEBI:22712)
(2R,3S)-2-hydroxy-3-phenyl-4-oxoheptanedioic acid (CHEBI:210771) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
(2R,3S)-2-hydroxy-4-oxo-3-phenylheptanedioic acid