CHEBI:15623 - 3-deoxy-D-glycero-hexo-2,5-diulosonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-deoxy-D-glycero-hexo-2,5-diulosonic acid
ChEBI ID CHEBI:15623
ChEBI ASCII Name 3-deoxy-D-glycero-hexo-2,5-diulosonic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18579, CHEBI:229
Supplier Information
Download Molfile XML SDF
Formula C6H8O6
Net Charge 0
Average Mass 176.12412
Monoisotopic Mass 176.03209
InChI InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,7-8H,1-2H2,(H,11,12)/t3-/m0/s1
InChIKey IBGYNIRCYXIAON-VKHMYHEASA-N
SMILES OCC(=O)[C@@H](O)CC(=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-deoxy-D-glycero-hexo-2,5-diulosonic acid (CHEBI:15623) has functional parent hexanoic acid (CHEBI:30776)
3-deoxy-D-glycero-hexo-2,5-diulosonic acid (CHEBI:15623) is a dioxo monocarboxylic acid (CHEBI:35951)
3-deoxy-D-glycero-hexo-2,5-diulosonic acid (CHEBI:15623) is conjugate acid of 3-deoxy-D-glycero-hexo-2,5-diulosonate (CHEBI:29071)
Incoming 3-deoxy-D-glycero-hexo-2,5-diulosonate (CHEBI:29071) is conjugate base of 3-deoxy-D-glycero-hexo-2,5-diulosonic acid (CHEBI:15623)
IUPAC Names
(4S)-4,6-dihydroxy-2,5-dioxohexanoic acid
3-deoxy-D-glycero-hexo-2,5-diulosonic acid
Synonyms Sources
(4S)-4,6-Dihydroxy-2,5-dioxohexanoate KEGG COMPOUND
2,5-Diketo-3-deoxy-D-gluconate KEGG COMPOUND
3-Deoxy-D-glycero-2,5-hexodiulosonate KEGG COMPOUND
Manual Xref Database
C04349 KEGG COMPOUND
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Last Modified
15 January 2019