|
GPK : Summary
Code
|
GPK
|
One-letter code
|
X
|
Molecule name
|
5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione
|
Synonyms
|
5-fluoro-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione
5-fluoro-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione
5-fluoro-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione
|
Systematic names
|
|
Formula
|
C10 H13 F N2 O7
|
Formal charge
|
0
|
Molecular weight
|
292.218 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
FC1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO |
SMILES
|
CACTVS |
3.370 |
OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(F)C(=O)NC2=O |
SMILES
|
OpenEye OEToolkits |
1.7.2 |
C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)F |
Canonical SMILES
|
CACTVS |
3.370 |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.2 |
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F |
|
IUPAC InChI | InChI=1S/C10H13FN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1 |
IUPAC InChI key | YHWGRVDTEORPPJ-XSEHCYKFSA-N |
|
wwPDB Information |
Atom count
|
33 (20 without Hydrogen)
|
Polymer type
|
Saccharide
|
Type description
|
D-saccharide
|
Type code
|
ATOMS
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2011-08-10
|
Last modified at
|
2020-07-17
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|