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Details

Stereochemistry ACHIRAL
Molecular Formula C5H8O3
Molecular Weight 116.1152
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-2-OXOBUTYRIC ACID

SMILES

CC(C)C(=O)C(O)=O

InChI

InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-N
InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)

HIDE SMILES / InChI
Molecular Formula C5H8O3
Molecular Weight 116.1152
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:18:59 UTC 2023
Edited
by admin
on Fri Dec 15 15:18:59 UTC 2023
Record UNII
34P71D50E0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-2-OXOBUTYRIC ACID
Systematic Name English
DIMETHYLPYRUVIC ACID
Systematic Name English
ISOPROPYLGLYOXYLIC ACID
Systematic Name English
3-METHYL-2-OXO BUTANOIC ACID
Systematic Name English
BUTANOIC ACID, 3-METHYL-2-OXO-
Common Name English
FEMA NO. 3869, ACID-
Code English
ALPHA-KETO-VALINE
Common Name English
.ALPHA.-KETOISOVALERIC ACID
Systematic Name English
.ALPHA.-KETO-ISOVALERIC ACID
Systematic Name English
2-OXOISOVALERIC ACID
Systematic Name English
2-KETO-3-METHYLBUTYRIC ACID
Systematic Name English
2-OXO-3-METHYLBUTYRIC ACID
Systematic Name English
KETOVALINE
Systematic Name English
.ALPHA.-OXOISOVALERIC ACID
Systematic Name English
3-METHYL-2-OXOBUTANOIC ACID [FHFI]
Common Name English
2-KETOISOVALERIC ACID
Systematic Name English
2-OXO-ISOVALERIC ACID
Systematic Name English
2-OXO-3-METHYLBUTANOIC ACID
Systematic Name English
.ALPHA.-OXO-.BETA.-METHYLBUTYRIC ACID
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-METHYL-2-OXOBUTANOIC ACID
Created by admin on Fri Dec 15 15:18:59 UTC 2023 , Edited by admin on Fri Dec 15 15:18:59 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID6061078
Created by admin on Fri Dec 15 15:18:59 UTC 2023 , Edited by admin on Fri Dec 15 15:18:59 UTC 2023
PRIMARY
CAS
759-05-7
Created by admin on Fri Dec 15 15:18:59 UTC 2023 , Edited by admin on Fri Dec 15 15:18:59 UTC 2023
PRIMARY
PUBCHEM
49
Created by admin on Fri Dec 15 15:18:59 UTC 2023 , Edited by admin on Fri Dec 15 15:18:59 UTC 2023
PRIMARY
JECFA MONOGRAPH
460
Created by admin on Fri Dec 15 15:18:59 UTC 2023 , Edited by admin on Fri Dec 15 15:18:59 UTC 2023
PRIMARY
CHEBI
16530
Created by admin on Fri Dec 15 15:18:59 UTC 2023 , Edited by admin on Fri Dec 15 15:18:59 UTC 2023
PRIMARY
WIKIPEDIA
alpha-Ketoisovaleric acid
Created by admin on Fri Dec 15 15:18:59 UTC 2023 , Edited by admin on Fri Dec 15 15:18:59 UTC 2023
PRIMARY
ECHA (EC/EINECS)
212-065-4
Created by admin on Fri Dec 15 15:18:59 UTC 2023 , Edited by admin on Fri Dec 15 15:18:59 UTC 2023
PRIMARY
FDA UNII
34P71D50E0
Created by admin on Fri Dec 15 15:18:59 UTC 2023 , Edited by admin on Fri Dec 15 15:18:59 UTC 2023
PRIMARY
DRUG BANK
DB04074
Created by admin on Fri Dec 15 15:18:59 UTC 2023 , Edited by admin on Fri Dec 15 15:18:59 UTC 2023
PRIMARY
Related Record Type Details
Structure of SODIUM 3-METHYL-2-OXOBUTYRATE
SALT/SOLVATE -> PARENT
Structure of CALCIUM 3-METHYL-2-OXOBUTYRATE
SALT/SOLVATE -> PARENT
NIH
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