QUEUINE

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

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	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical
Record UNII	DAK6EYX2BZ
Record Status	`Validated (UNII)`
Record Version

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

PRIMARY

CAS

72496-59-4

PRIMARY

WIKIPEDIA

Queuine

PRIMARY

PUBCHEM

135398670

PRIMARY

CHEBI

77674

PRIMARY

FDA UNII

DAK6EYX2BZ

PRIMARY

EPA CompTox

DTXSID20895854

PRIMARY