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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H9NO4S
Molecular Weight 203.216
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYSTATHIONINE KETIMINE

SMILES

OC(=O)[C@H]1CCSCC(=N1)C(O)=O

InChI

InChIKey=XJUQJVUYGRTQGI-SCSAIBSYSA-N
InChI=1S/C7H9NO4S/c9-6(10)4-1-2-13-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)/t4-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H9NO4S
Molecular Weight 203.216
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 Wed Apr 02 08:02:55 GMT 2025
Edited
by admin
on Wed Apr 02 08:02:55 GMT 2025
Record UNII
NJ8ZB68PWN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5R)-2,5,6,7-TETRAHYDRO-1,4-THIAZEPINE-3,5-DICARBOXYLIC ACID
Preferred Name English
CYSTATHIONINE KETIMINE
Common Name English
1,4-THIAZEPINE-3,5-DICARBOXYLIC ACID, 2,5,6,7-TETRAHYDRO-, (5R)-
Systematic Name English
Code System Code Type Description
FDA UNII
NJ8ZB68PWN
Created by admin on Wed Apr 02 08:02:55 GMT 2025 , Edited by admin on Wed Apr 02 08:02:55 GMT 2025
PRIMARY
CHEBI
90001
Created by admin on Wed Apr 02 08:02:55 GMT 2025 , Edited by admin on Wed Apr 02 08:02:55 GMT 2025
PRIMARY
CAS
87254-95-3
Created by admin on Wed Apr 02 08:02:55 GMT 2025 , Edited by admin on Wed Apr 02 08:02:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID40236240
Created by admin on Wed Apr 02 08:02:55 GMT 2025 , Edited by admin on Wed Apr 02 08:02:55 GMT 2025
PRIMARY
PUBCHEM
135905
Created by admin on Wed Apr 02 08:02:55 GMT 2025 , Edited by admin on Wed Apr 02 08:02:55 GMT 2025
PRIMARY