Chemical Components in the PDB

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QUO : Summary

Code

QUO

One-letter code

G

Molecule name

2-AMINO-7-DEAZA-(2'',3''-DIHYDROXY-CYCLOPENTYLAMINO)-GUANOSINE-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-amino-5-({[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
OpenEye OEToolkits 1.5.0 [(2R,3S,4R,5R)-5-[2-amino-5-[[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]methyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C17 H26 N5 O10 P

Formal charge

0

Molecular weight

491.39 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c2c(N=C(N)N1)n(cc2CNC3CCC(O)C3O)C4OC(C(O)C4O)COP(=O)(O)O
SMILES CACTVS 3.341 NC1=Nc2n(cc(CN[CH]3CC[CH](O)[CH]3O)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O
SMILES OpenEye OEToolkits 1.5.0 c1c(c2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CNC4CCC(C4O)O
Canonical SMILES CACTVS 3.341 NC1=Nc2n(cc(CN[C@@H]3CC[C@@H](O)[C@H]3O)c2C(=O)N1)[C@@H]4O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]4O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@@H]4CC[C@H]([C@H]4O)O

IUPAC InChI

InChI=1S/C17H26N5O10P/c18-17-20-14-10(15(27)21-17)6(3-19-7-1-2-8(23)11(7)24)4-22(14)16-13(26)12(25)9(32-16)5-31-33(28,29)30/h4,7-9,11-13,16,19,23-26H,1-3,5H2,(H2,28,29,30)(H3,18,20,21,27)/t7-,8-,9-,11+,12-,13-,16-/m1/s1

IUPAC InChI key

VYTHZZVQRUCDCO-LXGXKJLISA-N
QUO

wwPDB Information

Atom count

59 (33 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

G

Defined at

1999-07-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned