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

Details

Stereochemistry RACEMIC
Molecular Formula C6H10O3.C6H9N3O2
Molecular Weight 285.2964
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HISTIDINE .ALPHA.-KETOISOCAPROATE, DL-

SMILES

CC(C)CC(=O)C(O)=O.NC(CC1=CNC=N1)C(O)=O

InChI

InChIKey=SEGLGXWKMQWPCB-UHFFFAOYSA-N
InChI=1S/C6H9N3O2.C6H10O3/c7-5(6(10)11)1-4-2-8-3-9-4;1-4(2)3-5(7)6(8)9/h2-3,5H,1,7H2,(H,8,9)(H,10,11);4H,3H2,1-2H3,(H,8,9)

HIDE SMILES / InChI

Molecular Formula C6H9N3O2
Molecular Weight 155.1546
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:32:43 GMT 2023
Edited
by admin
on Sat Dec 16 00:32:43 GMT 2023
Record UNII
83C9B9O59I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HISTIDINE .ALPHA.-KETOISOCAPROATE, DL-
Systematic Name English
DL-HISTIDINE MONO(4-METHYL-2-OXOVALERATE)
Common Name English
PENTANOIC ACID, 4-METHYL-2-OXO-, COMPD. WITH DL-HISTIDINE (1:1)
Systematic Name English
DL-HISTIDINE, MONO(4-METHYL-2-OXOPENTANOATE)
Common Name English
DL-HISTIDINE .ALPHA.-KETOISOCAPROATE
Systematic Name English
Code System Code Type Description
PUBCHEM
9817306
Created by admin on Sat Dec 16 00:32:43 GMT 2023 , Edited by admin on Sat Dec 16 00:32:43 GMT 2023
PRIMARY
FDA UNII
83C9B9O59I
Created by admin on Sat Dec 16 00:32:43 GMT 2023 , Edited by admin on Sat Dec 16 00:32:43 GMT 2023
PRIMARY