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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H10O3
Molecular Weight 130.1418
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-2-OXO-PENTANOIC ACID, (3S)-

SMILES

CC[C@H](C)C(=O)C(O)=O

InChI

InChIKey=JVQYSWDUAOAHFM-BYPYZUCNSA-N
InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H10O3
Molecular Weight 130.1418
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:19:00 GMT 2023
Edited
by admin
on Fri Dec 15 15:19:00 GMT 2023
Record UNII
XQL9PAO004
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-2-OXO-PENTANOIC ACID, (3S)-
Common Name English
PENTANOIC ACID, 3-METHYL-2-OXO-, (3S)-
Common Name English
.ALPHA.-KETO-ISOLEUCINE
Common Name English
L-2-KETO-3-METHYLVALERATE
Common Name English
VALERIC ACID, 3-METHYL-2-OXO-, L-
Common Name English
Alpha-keto-isoleucine [WHO-DD]
Common Name English
ALPHA-KETO-ISOLEUCINE
WHO-DD  
Common Name English
Code System Code Type Description
FDA UNII
XQL9PAO004
Created by admin on Fri Dec 15 15:19:00 GMT 2023 , Edited by admin on Fri Dec 15 15:19:00 GMT 2023
PRIMARY
SMS_ID
300000017394
Created by admin on Fri Dec 15 15:19:00 GMT 2023 , Edited by admin on Fri Dec 15 15:19:00 GMT 2023
PRIMARY
CAS
24809-08-3
Created by admin on Fri Dec 15 15:19:00 GMT 2023 , Edited by admin on Fri Dec 15 15:19:00 GMT 2023
PRIMARY
PUBCHEM
439286
Created by admin on Fri Dec 15 15:19:00 GMT 2023 , Edited by admin on Fri Dec 15 15:19:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID20179505
Created by admin on Fri Dec 15 15:19:00 GMT 2023 , Edited by admin on Fri Dec 15 15:19:00 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT