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Details

Stereochemistry ACHIRAL
Molecular Formula C6H10O3
Molecular Weight 130.1418
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-KETOISOCAPROIC ACID

SMILES

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

InChI

InChIKey=BKAJNAXTPSGJCU-UHFFFAOYSA-N
InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)

HIDE SMILES / InChI
Molecular Formula C6H10O3
Molecular Weight 130.1418
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 15:09:14 UTC 2023
Edited
by admin
on Fri Dec 15 15:09:14 UTC 2023
Record UNII
4GUJ8AH400
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-KETOISOCAPROIC ACID
Systematic Name English
KETOLEUCINE
Systematic Name English
4-METHYL-2-OXOVALERIC ACID
Systematic Name English
2-OXOISOCAPROATE
Common Name English
4-METHYL-2-OXOPENTANOIC ACID
Systematic Name English
PENTANOIC ACID, 4-METHYL-2-OXO-
Common Name English
2-OXOLEUCINE
Common Name English
2-KETO-4-METHYLVALERIC ACID
Systematic Name English
Classification Tree Code System Code
DSLD 1491 (Number of products:4)
Created by admin on Fri Dec 15 15:09:14 UTC 2023 , Edited by admin on Fri Dec 15 15:09:14 UTC 2023
Code System Code Type Description
CHEBI
48430
Created by admin on Fri Dec 15 15:09:14 UTC 2023 , Edited by admin on Fri Dec 15 15:09:14 UTC 2023
PRIMARY
CAS
816-66-0
Created by admin on Fri Dec 15 15:09:14 UTC 2023 , Edited by admin on Fri Dec 15 15:09:14 UTC 2023
PRIMARY
CHEBI
17865
Created by admin on Fri Dec 15 15:09:14 UTC 2023 , Edited by admin on Fri Dec 15 15:09:14 UTC 2023
PRIMARY
PUBCHEM
70
Created by admin on Fri Dec 15 15:09:14 UTC 2023 , Edited by admin on Fri Dec 15 15:09:14 UTC 2023
PRIMARY
ECHA (EC/EINECS)
212-435-5
Created by admin on Fri Dec 15 15:09:14 UTC 2023 , Edited by admin on Fri Dec 15 15:09:14 UTC 2023
PRIMARY
JECFA MONOGRAPH
454
Created by admin on Fri Dec 15 15:09:14 UTC 2023 , Edited by admin on Fri Dec 15 15:09:14 UTC 2023
PRIMARY
WIKIPEDIA
alpha-Ketoisocaproic acid
Created by admin on Fri Dec 15 15:09:14 UTC 2023 , Edited by admin on Fri Dec 15 15:09:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID6061157
Created by admin on Fri Dec 15 15:09:14 UTC 2023 , Edited by admin on Fri Dec 15 15:09:14 UTC 2023
PRIMARY
FDA UNII
4GUJ8AH400
Created by admin on Fri Dec 15 15:09:14 UTC 2023 , Edited by admin on Fri Dec 15 15:09:14 UTC 2023
PRIMARY
Related Record Type Details
Structure of ARGININE .ALPHA.-KETOISOCAPROATE
SALT/SOLVATE -> PARENT
Structure of KETOISOCAPROATE POTASSIUM
SALT/SOLVATE -> PARENT
Structure of L-ORNITHINE .ALPHA.-KETOISOCAPROATE
SALT/SOLVATE -> PARENT
Structure of LYSINE KETOISOCAPROATE
SALT/SOLVATE -> PARENT
Structure of KETOISOCAPROIC ACID CALCIUM DIHYDRATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of LEUCINE
PARENT -> METABOLITE
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