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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H15N5O3
Molecular Weight 277.2792
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUEUINE

SMILES

NC1=NC(=O)C2=C(NC=C2CN[C@H]3C=C[C@H](O)[C@@H]3O)N1

InChI

InChIKey=WYROLENTHWJFLR-ACLDMZEESA-N
InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H15N5O3
Molecular Weight 277.2792
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 19:06:43 GMT 2023
Edited
by admin
on Sat Dec 16 19:06:43 GMT 2023
Record UNII
DAK6EYX2BZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUEUINE
Common Name English
4H-PYRROLO(2,3-D)PYRIMIDIN-4-ONE, 2-AMINO-5-((((1S,4S,5R)-4,5-DIHYDROXY-2-CYCLOPENTEN-1-YL)AMINO)METHYL)-1,7-DIHYDRO-
Systematic Name English
2-AMINO-5-((((1S,4S,5R)-4,5-DIHYDROXY-2-CYCLOPENTEN-1-YL)AMINO)METHYL)-1,7-DIHYDRO-4H-PYRROLO(2,3-D)PYRIMIDIN-4-ONE
Systematic Name English
4H-PYRROLO(2,3-D)PYRIMIDIN-4-ONE, 2-AMINO-5-(((4,5-DIHYDROXY-2-CYCLOPENTEN-1-YL)AMINO)METHYL)-1,7-DIHYDRO-, (1S-(1.ALPHA.,4.BETA.,5.BETA.))-
Systematic Name English
Code System Code Type Description
CHEBI
17433
Created by admin on Sat Dec 16 19:06:43 GMT 2023 , Edited by admin on Sat Dec 16 19:06:43 GMT 2023
PRIMARY
CAS
72496-59-4
Created by admin on Sat Dec 16 19:06:43 GMT 2023 , Edited by admin on Sat Dec 16 19:06:43 GMT 2023
PRIMARY
WIKIPEDIA
Queuine
Created by admin on Sat Dec 16 19:06:43 GMT 2023 , Edited by admin on Sat Dec 16 19:06:43 GMT 2023
PRIMARY
PUBCHEM
135398670
Created by admin on Sat Dec 16 19:06:43 GMT 2023 , Edited by admin on Sat Dec 16 19:06:43 GMT 2023
PRIMARY
CHEBI
77674
Created by admin on Sat Dec 16 19:06:43 GMT 2023 , Edited by admin on Sat Dec 16 19:06:43 GMT 2023
PRIMARY
FDA UNII
DAK6EYX2BZ
Created by admin on Sat Dec 16 19:06:43 GMT 2023 , Edited by admin on Sat Dec 16 19:06:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID20895854
Created by admin on Sat Dec 16 19:06:43 GMT 2023 , Edited by admin on Sat Dec 16 19:06:43 GMT 2023
PRIMARY