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CHEBI:28446 - 3D-3,5/4-trihydroxycyclohexane-1,2-dione

ChEBI IDCHEBI:28446
ChEBI Name3D-3,5/4-trihydroxycyclohexane-1,2-dione
Stars
ASCII Name3D-3,5/4-trihydroxycyclohexane-1,2-dione
Secondary ChEBI IDCHEBI:20887
Last Modified6 February 2018
DownloadsMolfile
FormulaC6H8O5
Net Charge0
Average Mass160.125
Monoisotopic Mass160.03717
SMILESO=C1C[C@@H](O)[C@H](O)[C@@H](O)C1=O
InChIInChI=1S/C6H8O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4,6-7,9,11H,1H2/t2-,4+,6-/m1/s1
InChIKeySHFQRUVRUBHHRE-CJPQEGFPSA-N
ChEBI Ontology
Outgoing Relation(s)
3D-3,5/4-trihydroxycyclohexane-1,2-dione (CHEBI:28446) is a 3,5/4-trihydroxycyclohexane-1,2-dione (CHEBI:16145)
3D-3,5/4-trihydroxycyclohexane-1,2-dione (CHEBI:28446) is a secondary α-hydroxy ketone (CHEBI:2468)
3D-3,5/4-trihydroxycyclohexane-1,2-dione (CHEBI:28446) is tautomer of (4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one (CHEBI:4077)
Incoming Relation(s)
(4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one (CHEBI:4077) is tautomer of 3D-3,5/4-trihydroxycyclohexane-1,2-dione (CHEBI:28446)
IUPAC Name 
(3R,4S,5R)-3,4,5-trihydroxycyclohexane-1,2-dione
Synonyms  Source
(3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexanedioneKEGG COMPOUND
3,5/4-Trihydroxycyclohexa-1,2-dioneKEGG COMPOUND
D-2,3-Diketo-4-deoxy-epi-inositolKEGG COMPOUND
UniProt Name  Source
3D-3,5/4-trihydroxycyclohexane-1,2-dioneUniProt
Manual XrefsDatabases
C04287KEGG COMPOUND
Registry NumbersSources
Beilstein:3199845Beilstein
CAS:949461-91-0KEGG COMPOUND