U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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, (+)-

SMILES

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

InChI

InChIKey=JVQYSWDUAOAHFM-SCSAIBSYSA-N
InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/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

PubMed

PubMed

TitleDatePubMed
Scleritodermin A, a cytotoxic cyclic peptide from the lithistid sponge Scleritoderma nodosum.
2004-03
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:43:29 GMT 2025
Edited
by admin
on Mon Mar 31 20:43:29 GMT 2025
Record UNII
2N24YSA6YZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-2-OXO-PENTANOIC ACID, (+)-
Common Name English
D-2-KETO-3-METHYLVALERATE
Preferred Name English
PENTANOIC ACID, 3-METHYL-2-OXO-, (3R)-
Common Name English
PENTANOIC ACID, 3-METHYL-2-OXO-, (R)-
Common Name English
Code System Code Type Description
FDA UNII
2N24YSA6YZ
Created by admin on Mon Mar 31 20:43:29 GMT 2025 , Edited by admin on Mon Mar 31 20:43:29 GMT 2025
PRIMARY
PUBCHEM
440877
Created by admin on Mon Mar 31 20:43:29 GMT 2025 , Edited by admin on Mon Mar 31 20:43:29 GMT 2025
PRIMARY
CAS
61748-89-8
Created by admin on Mon Mar 31 20:43:29 GMT 2025 , Edited by admin on Mon Mar 31 20:43:29 GMT 2025
PRIMARY