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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20N6O8
Molecular Weight 412.3547
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N6-THREONYLCARBAMOYLADENOSINE

SMILES

C[C@@H](O)[C@H](NC(=O)NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=UNUYMBPXEFMLNW-DWVDDHQFSA-N
InChI=1S/C15H20N6O8/c1-5(23)7(14(26)27)19-15(28)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)29-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,26,27)(H2,16,17,19,20,28)/t5-,6-,7+,9-,10-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H20N6O8
Molecular Weight 412.3547
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:46:11 GMT 2023
Edited
by admin
on Sat Dec 16 15:46:11 GMT 2023
Record UNII
3C55P4W4TB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N6-THREONYLCARBAMOYLADENOSINE
Common Name English
N6-(N-THREONYLCARBONYL)ADENOSINE
Common Name English
N-((9-.BETA.-D-RIBOFURANOSYL-9H-PURIN-6-YL)CARBAMOYL)-L-THREONINE
Common Name English
N-(((9-.BETA.-D-RIBOFURANOSYL-9H-PURIN-6-YL)AMINO)CARBONYL)-L-THREONINE
Common Name English
N6-CARBAMOYLTHREONYL ADENOSINE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70947655
Created by admin on Sat Dec 16 15:46:11 GMT 2023 , Edited by admin on Sat Dec 16 15:46:11 GMT 2023
PRIMARY
PUBCHEM
161466
Created by admin on Sat Dec 16 15:46:11 GMT 2023 , Edited by admin on Sat Dec 16 15:46:11 GMT 2023
PRIMARY
CAS
24719-82-2
Created by admin on Sat Dec 16 15:46:11 GMT 2023 , Edited by admin on Sat Dec 16 15:46:11 GMT 2023
PRIMARY
CHEBI
21440
Created by admin on Sat Dec 16 15:46:11 GMT 2023 , Edited by admin on Sat Dec 16 15:46:11 GMT 2023
PRIMARY
FDA UNII
3C55P4W4TB
Created by admin on Sat Dec 16 15:46:11 GMT 2023 , Edited by admin on Sat Dec 16 15:46:11 GMT 2023
PRIMARY