Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

P0C : Summary

Code

P0C

One-letter code

X

Molecule name

6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one

Synonyms

6-Methyl-3-(beta-D-2-ribofuranosyl)pyrrolo[2,3-d] pyrimidin-2-one

Systematic names

ProgramVersionName
ACDLabs 12.01 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one
OpenEye OEToolkits 1.9.2 3-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one

Formula

C12 H15 N3 O5

Formal charge

0

Molecular weight

281.265 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1N=C3C(=CN1C2OC(C(O)C2O)CO)C=C(N3)C
SMILES CACTVS 3.385 CC1=CC2=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C(=O)N=C2N1
SMILES OpenEye OEToolkits 1.9.2 CC1=CC2=CN(C(=O)N=C2N1)C3C(C(C(O3)CO)O)O
Canonical SMILES CACTVS 3.385 CC1=CC2=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N=C2N1
Canonical SMILES OpenEye OEToolkits 1.9.2 CC1=CC2=CN(C(=O)N=C2N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

IUPAC InChI

InChI=1S/C12H15N3O5/c1-5-2-6-3-15(12(19)14-10(6)13-5)11-9(18)8(17)7(4-16)20-11/h2-3,7-9,11,16-18H,4H2,1H3,(H,13,14,19)/t7-,8-,9-,11-/m1/s1

IUPAC InChI key

GCNYJWODKQPZDE-TURQNECASA-N
P0C

wwPDB Information

Atom count

35 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-05-16

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned