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Details

Stereochemistry UNKNOWN
Molecular Formula C10H16N2O3S
Molecular Weight 244.311
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOBIOTIN

SMILES

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

InChI

InChIKey=YBJHBAHKTGYVGT-FJXKBIBVSA-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

Approval Year

Unknown
139594
Name Type Language
ALLOBIOTIN
Common Name English
ALLOBIOTIN, DL-
Common Name English
5-(2-OXO-1,3,3A,4,6,6A-HEXAHYDROTHIENO(3,4-D)IMIDAZOL-4-YL)PENTANOIC ACID
Systematic Name English
1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-
Systematic Name English
Code System Code Type Description
CAS
5652-41-5
Created by admin on Sat Dec 16 09:35:23 GMT 2023 , Edited by admin on Sat Dec 16 09:35:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID00859030
Created by admin on Sat Dec 16 09:35:23 GMT 2023 , Edited by admin on Sat Dec 16 09:35:23 GMT 2023
PRIMARY
PUBCHEM
6604653
Created by admin on Sat Dec 16 09:35:23 GMT 2023 , Edited by admin on Sat Dec 16 09:35:23 GMT 2023
PRIMARY
FDA UNII
6L08Y4AOXW
Created by admin on Sat Dec 16 09:35:23 GMT 2023 , Edited by admin on Sat Dec 16 09:35:23 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of ALLOBIOTIN
NIH
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