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Details

Stereochemistry ABSOLUTE
Molecular Formula C5H12N2O2.C5H8O3
Molecular Weight 248.2762
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=IUQCXXQQMQULHI-WCCKRBBISA-N
InChI=1S/C5H12N2O2.C5H8O3/c6-3-1-2-4(7)5(8)9;1-3(2)4(6)5(7)8/h4H,1-3,6-7H2,(H,8,9);3H,1-2H3,(H,7,8)/t4-;/m0./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 C5H8O3
Molecular Weight 116.1152
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:03:06 GMT 2023
Edited
by admin
on Sat Dec 16 01:03:06 GMT 2023
Record UNII
05C199JWJY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-ORNITHINE .ALPHA.-KETOISOVALERATE
Common Name English
ORNITHINE 3-METHYL-2-OXOBUTYRATE
Common Name English
L-ORNITHINE (3-METHYL-2-OXOBUTYRATE)
Common Name English
L-ORNITHINE, MONO(3-METHYL-2-OXOBUTANOATE)
Systematic Name English
BUTANOIC ACID, 3-METHYL-2-OXO-, COMPD. WITH L-ORNITHINE (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
276-324-3
Created by admin on Sat Dec 16 01:03:06 GMT 2023 , Edited by admin on Sat Dec 16 01:03:06 GMT 2023
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EPA CompTox
DTXSID50222417
Created by admin on Sat Dec 16 01:03:06 GMT 2023 , Edited by admin on Sat Dec 16 01:03:06 GMT 2023
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FDA UNII
05C199JWJY
Created by admin on Sat Dec 16 01:03:06 GMT 2023 , Edited by admin on Sat Dec 16 01:03:06 GMT 2023
PRIMARY
CAS
72087-38-8
Created by admin on Sat Dec 16 01:03:06 GMT 2023 , Edited by admin on Sat Dec 16 01:03:06 GMT 2023
PRIMARY
PUBCHEM
14406339
Created by admin on Sat Dec 16 01:03:06 GMT 2023 , Edited by admin on Sat Dec 16 01:03:06 GMT 2023
PRIMARY