4-Methylene-2-oxoglutarate

Details

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Internal ID 78e1fbf3-ba07-48f4-b46e-037c81f2ab90
Taxonomy Organic acids and derivatives > Keto acids and derivatives > Gamma-keto acids and derivatives
IUPAC Name 2-methylidene-4-oxopentanedioic acid
SMILES (Canonical) C=C(CC(=O)C(=O)O)C(=O)O
SMILES (Isomeric) C=C(CC(=O)C(=O)O)C(=O)O
InChI InChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h1-2H2,(H,8,9)(H,10,11)
InChI Key OARCEFMISOKEKI-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C6H6O5
Molecular Weight 158.11 g/mol
Exact Mass 158.02152329 g/mol
Topological Polar Surface Area (TPSA) 91.70 Ų
XlogP -0.30

Synonyms

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2-Methylene-4-oxopentanedioic acid
2-Methylidene-4-oxopentanedioic acid
2-methylene-4-oxo-pentanedioic acid
4-Carboxy-2-oxo-4-pentenoate
CHEBI:1898
g-Methylene-a-ketoglutaric acid
SCHEMBL1300526
2-Methylene-4-oxoglutaric acid
LMFA01170047
C06035
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4-Methylene-2-oxoglutarate

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
CHEMBL4040 P28482 MAP kinase ERK2 97.44% 83.82%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.59% 99.17%

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.
Arachis hypogaea
Lilium regale

Cross-Links

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PubChem 440813
LOTUS LTS0038727
wikiData Q27105522