5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (CHEBI:16694)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one

ChEBI ID	CHEBI:16694

ChEBI ASCII Name	5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one

Definition	A cyclic ketone comprising cyclohexen-2-one having hydroxy groups at the 2- and 6-positions and a hydroxymethyl group at the 5-position.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:2046, CHEBI:20532, CHEBI:12098

Supplier Information

Download	Molfile XML SDF

Formula

C7H10O4

Net Charge

Average Mass

158.15190

Monoisotopic Mass

158.05791

InChI

InChI=1S/C7H10O4/c8-3-4-1-2-5(9)7(11)6(4)10/h2,4,6,8-10H,1,3H2/t4-,6-/m0/s1

InChIKey

JJEJEUFVVGEVHG-NJGYIYPDSA-N

SMILES

OC[C@@H]1CC=C(O)C(=O)[C@H]1O

ChEBI Ontology
Outgoing	5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (CHEBI:16694) has functional parent cyclohex-2-enone (CHEBI:15977) 5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (CHEBI:16694) is a cyclic ketone (CHEBI:3992) 5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (CHEBI:16694) is a secondary α-hydroxy ketone (CHEBI:2468) 5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (CHEBI:16694) is conjugate acid of (4S,5S)-5-hydroxy-4-(hydroxymethyl)-6-oxocyclohex-1-en-1-olate (CHEBI:57864)

Incoming	(4S,5S)-5-hydroxy-4-(hydroxymethyl)-6-oxocyclohex-1-en-1-olate (CHEBI:57864) is conjugate base of 5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (CHEBI:16694)

IUPAC Names

(5S,6S)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one

5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one

Synonyms	Sources
5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one	KEGG COMPOUND
5D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxy-2-cyclohexen-1-one	KEGG COMPOUND
5D-(5/6)-5-C-(hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one	UniProt

Last Modified

06 February 2018