UCSF

ZINC01532553

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 8 No

Popular Name: 3-Methyl-2-oxobutanoic acid 3-Methyl-2-oxobutanoic acid

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CAS Numbers: 360769-16-0 , 3715-29-5 , 51828-94-5 , 759-05-7 , [3715-29-5] , [51828-94-5] , [759-05-7]

Other Names:

2-keto-3-Methylbutyrate; 2-keto-3-Methylbutyric acid; 2-keto-isovalerate; 2-Ketoisovalerate; 2-Ketoisovaleric acid; 2-ketovaline; 2-Oxo-3-methylbutanoate; 2-Oxo-3-methylbutanoic acid; 2-Oxo-3-methylbutyrate; 2-Oxo-3-methylbutyric acid; 2-oxoisopentanoate

2-Keto-3-Methylbutyrate; 2-Keto-3-Methylbutyric acid; 2-Ketoisovalerate; 2-Ketoisovaleric acid; 2-Ketoisvaleric acid; 2-Oxo-3-methyl-butyrate; 2-Oxo-3-methylbutanoate; 2-Oxo-3-methylbutanoic acid; 2-Oxo-3-methylbutyrate; 2-Oxo-3-methylbutyric acid; 2-Oxoi

2-Keto-3-Methylbutyrate;2-Keto-3-Methylbutyric acid;2-Ketoisovalerate;2-Ketoisovaleric acid;2-Ketoisvaleric acid;2-Oxo-3-methyl-butyrate;2-Oxo-3-methylbutanoate;2-Oxo-3-methylbutanoic acid;2-Oxo-3-methylbutyrate;2-Oxo-3-methylbutyric acid;2-Oxoisovalerate

2-Keto-3-methylbutyric acid

2-keto-3-methylbutyric acid; 2-keto-isovalerate; 2-ketovaline; 2-oxo-3-methylbutanoate; 2-oxoisopentanoate; 2-oxoisovalerate; 3-methyl-2-oxobutanoate; 759-05-7; alpha-keto-isovalerate; alpha-keto-isovaleric acid; alpha-keto-valine; alpha-ketoisopentanoic

2-keto-3-Methylbutyric acid; 2-Ketoisovaleric acid; 2-Oxo-3-methylbutanoic acid; 2-Oxo-3-methylbutyric acid; 2-Oxoisovaleric acid; 3-methyl-2-oxo-Butanoic acid; 3-methyl-2-oxo-Butyric acid; 3-Methyl-2-oxobutanoic acid; 3-Methyl-2-oxobutyrate; 3-Methyl-2-o

2-Keto-3-methylbutyric acid; 2-Ketovaline; 2-Oxo-3-methylbutanoate; 2-Oxoisopentanoate; 2-Oxoisovalerate; 2-Oxoisovaleric acid; 3-Methyl-2-oxobutanoate; 3-Methyl-2-oxobutanoic acid; 3-Methyl-2-oxobutyric acid; Butanoic acid, 3-methyl-2-oxo-; alpha-Ketoiso

2-Keto-3-methylbutyric acid; 2-Ketovaline; 2-Oxo-3-methylbutanoate; 2-Oxoisopentanoate; 2-Oxoisovalerate; 3-Methyl-2-oxobutanoate; 3-Methyl-2-oxobutanoic acid; 3-Methyl-2-oxobutyric acid; 759-05-7; C00141; alpha-Ketovaline

2-Ketoisovaleric acid; 2-Oxo-3-methylbutanoic acid; 2-Oxo-3-methylbutyric acid; 2-Oxoisovaleric acid; Dimethylpyruvic acid; Isopropylglyoxylic acid; alpha-keto-isovaleric acid; alpha-oxo-beta-methylbutyricacid; alpha-oxoisovaleric acid

2-Ketovaline

2-Oxo-3-methylbutanoate

2-Oxo-3-methylbutanoate; 2-Oxoisopentanoate; 2-Oxoisovalerate; 3-methyl-2-oxobutanoate

2-Oxoisopentanoate

2-Oxoisovalerate

3-Methyl-2-oxo-butanoic acid

3-Methyl-2-oxo-butanoicAcid

3-Methyl-2-oxobutanoate

3-Methyl-2-oxobutanoic acid, sodium salt

3-Methyl-2-oxobutanoic acid, sodium salt, 98+%

3-Methyl-2-oxobutyric acid

3-Methyl-2-oxobutyric acid calcium salt

3-METHYL-2-OXOBUTYRIC ACIDDISCONTINUED

a-Ketoisovaleric acid

Alpha-ketoisovalerate

Alpha-ketoisovaleric acid

alpha-Ketovaline

Calcium 3-methyl-2-oxobutanoate

Calcium 3-Methyl-2-oxobutyrate Hydrate

Calcium3-methyl-2-oxobutanoate

CalciuM3-Methyl-2-oxobutyrateHydrate

CHEBI:20115; CHEBI:43714; CHEBI:1584

α-ketoisovalerate

Ketovaline sodium

Ketovaline sodium salt

MFCD00002580

MFCD00002581

MFCD00040427

MFCD00149105

QA-6207

Sodium 3-methyl-2-oxobutanoate

ST-4537

¦Á-KetoisovalericAcid-3-dSodiumSalt

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.15 3.03 -44.82 0 3 -1 57 115.108 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 227 - 231 Acros Organics
ALOGPS_SOLUBILITY 3.02e+01 g/l DrugBank-experimental
Purity 95% Fluorochem
Patent Database Links EP1745791; EP1818053; GB2147579 ChEBI
UniProt Database Links ILV3_SCHPO; ILV3_YEAST; ILVD1_ACIAD; ILVD1_AROAE; ILVD1_BORBR; ILVD1_BORPA; ILVD1_BORPE; ILVD1_BRADU; ILVD1_BURS3; ILVD1_COREF; ILVD1_CUPPJ; ILVD1_METAC; ILVD1_NOCFA; ILVD1_PSEHT; ILVD1_RHILO; ILVD1_STAS1; ILVD2_ACIAD; ILVD2_AROAE; ILVD2_BORBR; ILVD2_BORP ChEBI
Reactome Database Links REACT_1136; REACT_1813; REACT_2034; REACT_21283; REACT_21409 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links US2008182972 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Branched-chain amino acid catabolism

Analogs ( Draw Identity 99% 90% 80% 70% )