U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C6H10O3.C5H12N2O2
Molecular Weight 262.3028
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-ORNITHINE .ALPHA.-KETOISOCAPROATE

SMILES

CC(C)CC(=O)C(O)=O.NCCC[C@H](N)C(O)=O

InChI

InChIKey=UMQFXFDTFNTJRK-VWMHFEHESA-N
InChI=1S/C6H10O3.C5H12N2O2/c1-4(2)3-5(7)6(8)9;6-3-1-2-4(7)5(8)9/h4H,3H2,1-2H3,(H,8,9);4H,1-3,6-7H2,(H,8,9)/t;4-/m.0/s1

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
Molecular Formula C5H12N2O2
Molecular Weight 132.161
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:37:32 GMT 2025
Edited
by admin
on Mon Mar 31 20:37:32 GMT 2025
Record UNII
9K1Y6V15ZY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-ORNITHINE .ALPHA.-KETOISOCAPROATE
Common Name English
L-ORNITHINE (4-METHYL-2-OXOPENTANOATE)
Preferred Name English
PENTANOIC ACID, 4-METHYL-2-OXO-, COMPD. WITH L-ORNITHINE (1:1)
Systematic Name English
L-ORNITHINE, MONO(4-METHYL-2-OXOPENTANOATE)
Systematic Name English
ORNITHINE 4-METHYL-2-OXOPENTANOATE
Common Name English
Code System Code Type Description
FDA UNII
9K1Y6V15ZY
Created by admin on Mon Mar 31 20:37:32 GMT 2025 , Edited by admin on Mon Mar 31 20:37:32 GMT 2025
PRIMARY
ECHA (EC/EINECS)
276-323-8
Created by admin on Mon Mar 31 20:37:32 GMT 2025 , Edited by admin on Mon Mar 31 20:37:32 GMT 2025
PRIMARY
CAS
72087-37-7
Created by admin on Mon Mar 31 20:37:32 GMT 2025 , Edited by admin on Mon Mar 31 20:37:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID90222416
Created by admin on Mon Mar 31 20:37:32 GMT 2025 , Edited by admin on Mon Mar 31 20:37:32 GMT 2025
PRIMARY
PUBCHEM
12803273
Created by admin on Mon Mar 31 20:37:32 GMT 2025 , Edited by admin on Mon Mar 31 20:37:32 GMT 2025
PRIMARY
Related Record Type Details
Structure of .ALPHA.-KETOISOCAPROIC ACID
PARENT -> SALT/SOLVATE
Structure of ORNITHINE
PARENT -> SALT/SOLVATE
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966