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

Details

Stereochemistry ABSOLUTE
Molecular Formula C6H9N3O2S
Molecular Weight 187.22
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOHISTIDINE

SMILES

N[C@@H](CC1=CNC(=S)N1)C(O)=O

InChI

InChIKey=FVNKWWBXNSNIAR-BYPYZUCNSA-N
InChI=1S/C6H9N3O2S/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)(H2,8,9,12)/t4-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H9N3O2S
Molecular Weight 187.22
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:34:36 GMT 2023
Edited
by admin
on Sat Dec 16 01:34:36 GMT 2023
Record UNII
MH6EDB26P8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIOHISTIDINE
INCI  
INCI  
Official Name English
L-2-THIOXOHISTIDINE
Common Name English
1H-IMIDAZOLE-4-PROPANOIC ACID, .ALPHA.-AMINO-2,3-DIHYDRO-2-THIOXO-, (.ALPHA.S)-
Common Name English
L-2-THIOLHISTIDINE
Common Name English
2-THIOLHISTIDINE L-FORM [MI]
Common Name English
THIOHISTIDINE [INCI]
Common Name English
L-THIOHISTIDINE
Common Name English
L-2-MERCAPTOHISTIDINE
Common Name English
1H-IMIDAZOLE-4-PROPANOIC ACID, .ALPHA.-AMINO-2,3-DIHYDRO-2-THIOXO-, (S)-
Common Name English
HISTIDINE, 2-MERCAPTO-, L-
Systematic Name English
Code System Code Type Description
FDA UNII
MH6EDB26P8
Created by admin on Sat Dec 16 01:34:36 GMT 2023 , Edited by admin on Sat Dec 16 01:34:36 GMT 2023
PRIMARY
PUBCHEM
2733604
Created by admin on Sat Dec 16 01:34:36 GMT 2023 , Edited by admin on Sat Dec 16 01:34:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID401021728
Created by admin on Sat Dec 16 01:34:36 GMT 2023 , Edited by admin on Sat Dec 16 01:34:36 GMT 2023
PRIMARY
CAS
2002-22-4
Created by admin on Sat Dec 16 01:34:36 GMT 2023 , Edited by admin on Sat Dec 16 01:34:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-899-2
Created by admin on Sat Dec 16 01:34:36 GMT 2023 , Edited by admin on Sat Dec 16 01:34:36 GMT 2023
PRIMARY
MERCK INDEX
m10764
Created by admin on Sat Dec 16 01:34:36 GMT 2023 , Edited by admin on Sat Dec 16 01:34:36 GMT 2023
PRIMARY Merck Index