Chemical Components in the PDB

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GPL : Summary

Code

GPL

One-letter code

K

Molecule name

LYSINE GUANOSINE-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-amino-6-{[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]amino}hexanoic acid (non-preferred name)
OpenEye OEToolkits 1.5.0 (2S)-2-amino-6-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]amino]hexanoic acid

Formula

C16 H26 N7 O9 P

Formal charge

0

Molecular weight

491.393 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCCCNP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
SMILES CACTVS 3.341 N[CH](CCCCN[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=Nc23)N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1nc2c(n1C3C(C(C(O3)COP(=O)(NCCCCC(C(=O)O)N)O)O)O)N=C(NC2=O)N
Canonical SMILES CACTVS 3.341 N[C@@H](CCCCN[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC(=Nc23)N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H](C(=O)O)N)O)O)O)N=C(NC2=O)N

IUPAC InChI

InChI=1S/C16H26N7O9P/c17-7(15(27)28)3-1-2-4-20-33(29,30)31-5-8-10(24)11(25)14(32-8)23-6-19-9-12(23)21-16(18)22-13(9)26/h6-8,10-11,14,24-25H,1-5,17H2,(H,27,28)(H2,20,29,30)(H3,18,21,22,26)/t7-,8+,10+,11+,14+/m0/s1

IUPAC InChI key

FYWIJTNESKGCIU-TWBCTODHSA-N
GPL

wwPDB Information

Atom count

59 (33 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned