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

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ChEBI Name 3D-3,5/4-trihydroxycyclohexane-1,2-dione ChEBI ID CHEBI:28446 ChEBI ASCII Name 3D-3,5/4-trihydroxycyclohexane-1,2-dione Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:20887 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H8O5 Net Charge 0 Average Mass 160.12472 Monoisotopic Mass 160.03717 InChI InChI=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 InChIKey SHFQRUVRUBHHRE-CJPQEGFPSA-N SMILES O[C@@H]1CC(=O)C(=O)[C@H](O)[C@H]1O ChEBI Ontology Outgoing 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 (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 Sources (3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexanedione KEGG COMPOUND 3,5/4-Trihydroxycyclohexa-1,2-dione KEGG COMPOUND 3D-3,5/4-trihydroxycyclohexane-1,2-dione UniProt D-2,3-Diketo-4-deoxy-epi-inositol KEGG COMPOUND Manual Xref Database C04287 KEGG COMPOUND View more database links Registry Numbers Types Sources 3199845 Beilstein Registry Number Beilstein 949461-91-0 CAS Registry Number KEGG COMPOUND Last Modified 06 February 2018