CHEBI:73967 - 2,2,4-trihydroxybutanoic acid

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ChEBI Name 2,2,4-trihydroxybutanoic acid
ChEBI ID CHEBI:73967
Definition A hydroxybutyric acid that is butyric acid substituted by hydroxy groups at positions 2, 2 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C4H8O5
Net Charge 0
Average Mass 136.10330
Monoisotopic Mass 136.03717
InChI InChI=1S/C4H8O5/c5-2-1-4(8,9)3(6)7/h5,8-9H,1-2H2,(H,6,7)
InChIKey IASCKZVQSNCRPV-UHFFFAOYSA-N
SMILES OCCC(O)(O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 2,2,4-trihydroxybutanoic acid (CHEBI:73967) has functional parent butyric acid (CHEBI:30772)
2,2,4-trihydroxybutanoic acid (CHEBI:73967) has role metabolite (CHEBI:25212)
2,2,4-trihydroxybutanoic acid (CHEBI:73967) is a hydroxybutyric acid (CHEBI:24684)
2,2,4-trihydroxybutanoic acid (CHEBI:73967) is a triol (CHEBI:27136)
IUPAC Name
2,2,4-trihydroxybutanoic acid
Synonym Source
2,2,4-trihydroxybutyric acid ChEBI
Last Modified
25 September 2013