2-Hydroxyglutaric acid

Details

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Internal ID 93022748-7b6e-47b4-8d24-5f43c7bbc4fd
Taxonomy Organic acids and derivatives > Hydroxy acids and derivatives > Short-chain hydroxy acids and derivatives
IUPAC Name 2-hydroxypentanedioic acid
SMILES (Canonical) C(CC(=O)O)C(C(=O)O)O
SMILES (Isomeric) C(CC(=O)O)C(C(=O)O)O
InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)
InChI Key HWXBTNAVRSUOJR-UHFFFAOYSA-N
Popularity 937 references in papers

Physical and Chemical Properties

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Molecular Formula C5H8O5
Molecular Weight 148.11 g/mol
Exact Mass 148.03717335 g/mol
Topological Polar Surface Area (TPSA) 94.80 Ų
XlogP -1.00

Synonyms

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2-hydroxypentanedioic acid
2889-31-8
2-hydroxyglutarate
alpha-hydroxyglutarate
alpha-Hydroxyglutaric acid
Pentanedioic acid, 2-hydroxy-
2,3-Dideoxypentaric acid
2-oxidanylpentanedioic acid
Glutaric acid, 2-hydroxy-
RS4M3UYS95
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-Hydroxyglutaric acid

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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 91.15% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 89.42% 90.17%
CHEMBL2581 P07339 Cathepsin D 89.13% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.63% 99.17%
CHEMBL4040 P28482 MAP kinase ERK2 84.06% 83.82%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 83.26% 92.26%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 81.15% 100.00%

Plants that contains it

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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.
Arabidopsis thaliana
Euphorbia resinifera

Cross-Links

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PubChem 43
LOTUS LTS0187001
wikiData Q209412