2-keto-L-gluconate

Details

Top
Internal ID d92d22f0-0803-4111-9555-6e144e0be5e8
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Sugar acids and derivatives
IUPAC Name 3,4,5,6-tetrahydroxy-2-oxohexanoic acid
SMILES (Canonical) C(C(C(C(C(=O)C(=O)O)O)O)O)O
SMILES (Isomeric) C(C(C(C(C(=O)C(=O)O)O)O)O)O
InChI InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)
InChI Key VBUYCZFBVCCYFD-UHFFFAOYSA-N
Popularity 116 references in papers

Physical and Chemical Properties

Top
Molecular Formula C6H10O7
Molecular Weight 194.14 g/mol
Exact Mass 194.04265265 g/mol
Topological Polar Surface Area (TPSA) 135.00 Ų
XlogP -2.90

Synonyms

Top
73803-83-5
RefChem:935473
GlyTouCan:G46363QK
G46363QK
2-keto-L-gluconate
2-Keto-L-galactonic acid
91548-32-2
(3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid
D-arabino-Hexulosonic acid
Gluconic acid, 2-oxo-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of 2-keto-L-gluconate

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.84% 96.09%
CHEMBL2581 P07339 Cathepsin D 82.83% 98.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.19% 100.00%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

Top
PubChem 50
LOTUS LTS0218508
wikiData Q27160223