Chemical Components in the PDB

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GP0 : Summary

Code

GP0

One-letter code

X

Molecule name

5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione

Synonyms

5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucosyl]pyrimidine-2,4(1H,3H)-dione
5-fluoro-1-[3-C-(hydroxymethyl)-D-glucosyl]pyrimidine-2,4(1H,3H)-dione
5-fluoro-1-[3-C-(hydroxymethyl)-glucosyl]pyrimidine-2,4(1H,3H)-dione

Systematic names

ProgramVersionName
ACDLabs 12.01 5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.7.2 1-[(2R,3R,4S,5R,6R)-4,6-bis(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5-fluoranyl-pyrimidine-2,4-dione

Formula

C11 H15 F N2 O8

Formal charge

0

Molecular weight

322.244 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 FC1=CN(C(=O)NC1=O)C2OC(C(O)C(O)(C2O)CO)CO
SMILES CACTVS 3.370 OC[CH]1O[CH]([CH](O)[C](O)(CO)[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)(CO)O)O)F
Canonical SMILES CACTVS 3.370 OC[C@H]1O[C@H]([C@H](O)[C@](O)(CO)[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@@]([C@@H]([C@H](O2)CO)O)(CO)O)O)F

IUPAC InChI

InChI=1S/C11H15FN2O8/c12-4-1-14(10(20)13-8(4)19)9-7(18)11(21,3-16)6(17)5(2-15)22-9/h1,5-7,9,15-18,21H,2-3H2,(H,13,19,20)/t5-,6-,7+,9-,11+/m1/s1

IUPAC InChI key

ASRLDHHNHXDEKP-RZBPYSQRSA-N
GP0

wwPDB Information

Atom count

37 (22 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