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Details

Stereochemistry EPIMERIC
Molecular Formula C6H10O3.C5H12N2O2
Molecular Weight 262.3028
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORNITHINE DL-3-METHYL-2-OXOVALERATE

SMILES

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

InChI

InChIKey=CGVXSZLKWKYOMR-VWMHFEHESA-N
InChI=1S/C6H10O3.C5H12N2O2/c1-3-4(2)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 C5H12N2O2
Molecular Weight 132.161
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H10O3
Molecular Weight 130.1418
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:06:02 GMT 2023
Edited
by admin
on Sat Dec 16 10:06:02 GMT 2023
Record UNII
GXV8JD4I86
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORNITHINE DL-3-METHYL-2-OXOVALERATE
Common Name English
L-ORNITHINE (3-METHYL-2-OXOPENTANOATE)
Common Name English
L-ORNITHINE, MONO(3-METHYL-2-OXOPENTANOATE)
Common Name English
PENTANOIC ACID, 3-METHYL-2-OXO-, COMPD. WITH L-ORNITHINE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
GXV8JD4I86
Created by admin on Sat Dec 16 10:06:03 GMT 2023 , Edited by admin on Sat Dec 16 10:06:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID10222418
Created by admin on Sat Dec 16 10:06:03 GMT 2023 , Edited by admin on Sat Dec 16 10:06:03 GMT 2023
PRIMARY
CAS
72087-39-9
Created by admin on Sat Dec 16 10:06:03 GMT 2023 , Edited by admin on Sat Dec 16 10:06:03 GMT 2023
PRIMARY
ECHA (EC/EINECS)
276-325-9
Created by admin on Sat Dec 16 10:06:03 GMT 2023 , Edited by admin on Sat Dec 16 10:06:03 GMT 2023
PRIMARY
CAS
88191-33-7
Created by admin on Sat Dec 16 10:06:03 GMT 2023 , Edited by admin on Sat Dec 16 10:06:03 GMT 2023
ALTERNATIVE
PUBCHEM
14406343
Created by admin on Sat Dec 16 10:06:03 GMT 2023 , Edited by admin on Sat Dec 16 10:06:03 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE