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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H21NO4
Molecular Weight 231.2887
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYRYLCARNITINE

SMILES

CC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C

InChI

InChIKey=LRCNOZRCYBNMEP-SECBINFHSA-N
InChI=1S/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H22NO4
Molecular Weight 232.2967
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:32:35 GMT 2025
Edited
by admin
on Wed Apr 02 05:32:35 GMT 2025
Record UNII
G962K8PXU5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUTYRYLCARNITINE
Common Name English
(3R)-3-(2-METHYLPROPANOYLOXY)-4-(TRIMETHYLAZANIUMYL)BUTANOATE
Preferred Name English
ISOBUTYRYL-L-CARNITINE
Common Name English
AMMONIUM, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYL-, HYDROXIDE, INNER SALT, ISOBUTYRATE, L-
Systematic Name English
1-PROPANAMINIUM, 3-CARBOXY-N,N,N-TRIMETHYL-2-(2-METHYL-1-OXOPROPOXY)-, INNER SALT, (2R)-
Systematic Name English
ISOBUTYRYL-L-(-)-CARNITINE
Common Name English
Code System Code Type Description
FDA UNII
G962K8PXU5
Created by admin on Wed Apr 02 05:32:35 GMT 2025 , Edited by admin on Wed Apr 02 05:32:35 GMT 2025
PRIMARY
PUBCHEM
168379
Created by admin on Wed Apr 02 05:32:35 GMT 2025 , Edited by admin on Wed Apr 02 05:32:35 GMT 2025
PRIMARY
CAS
25518-49-4
Created by admin on Wed Apr 02 05:32:35 GMT 2025 , Edited by admin on Wed Apr 02 05:32:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID70948420
Created by admin on Wed Apr 02 05:32:35 GMT 2025 , Edited by admin on Wed Apr 02 05:32:35 GMT 2025
PRIMARY
CHEBI
73017
Created by admin on Wed Apr 02 05:32:35 GMT 2025 , Edited by admin on Wed Apr 02 05:32:35 GMT 2025
PRIMARY
CHEBI
84838
Created by admin on Wed Apr 02 05:32:35 GMT 2025 , Edited by admin on Wed Apr 02 05:32:35 GMT 2025
PRIMARY