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

Details

Stereochemistry RACEMIC
Molecular Formula C10H16N2O3S
Molecular Weight 244.311
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPIALLOBIOTIN, (±)-

SMILES

[H][C@@]12CS[C@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2

InChI

InChIKey=YBJHBAHKTGYVGT-BHNWBGBOSA-N
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9+/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H16N2O3S
Molecular Weight 244.311
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:37:41 GMT 2023
Edited
by admin
on Sat Dec 16 09:37:41 GMT 2023
Record UNII
X3M4F79CXU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPIALLOBIOTIN, (±)-
Common Name English
1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, (3A.ALPHA.,4.ALPHA.,6A.BETA.)-(±)-
Systematic Name English
1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, (3AR,4S,6AR)-REL-
Systematic Name English
(±)-EPIALLOBIOTIN
Common Name English
Code System Code Type Description
FDA UNII
X3M4F79CXU
Created by admin on Sat Dec 16 09:37:41 GMT 2023 , Edited by admin on Sat Dec 16 09:37:41 GMT 2023
PRIMARY
CAS
68225-55-8
Created by admin on Sat Dec 16 09:37:41 GMT 2023 , Edited by admin on Sat Dec 16 09:37:41 GMT 2023
PRIMARY
PUBCHEM
6604192
Created by admin on Sat Dec 16 09:37:41 GMT 2023 , Edited by admin on Sat Dec 16 09:37:41 GMT 2023
PRIMARY