data_G1P
# 
_chem_comp.id                                    G1P 
_chem_comp.name                                  ALPHA-D-GLUCOSE-1-PHOSPHATE 
_chem_comp.type                                  D-SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C6 H13 O9 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        260.136 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     G1P 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        3GPB 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
G1P C1   C1   C 0 1 N N R 28.549 3.960  53.034 -0.568 0.783  0.185  C1   G1P 1  
G1P C2   C2   C 0 1 N N R 28.522 2.784  54.162 -1.579 0.749  -0.962 C2   G1P 2  
G1P C3   C3   C 0 1 N N S 28.067 1.476  53.445 -1.163 -0.333 -1.963 C3   G1P 3  
G1P C4   C4   C 0 1 N N S 26.572 1.779  53.106 0.290  -0.081 -2.381 C4   G1P 4  
G1P C5   C5   C 0 1 N N R 26.381 3.018  52.152 1.160  0.014  -1.125 C5   G1P 5  
G1P C6   C6   C 0 1 N N N 24.807 3.213  51.983 2.618  0.231  -1.533 C6   G1P 6  
G1P O1   O1   O 0 1 N N N 29.283 3.577  51.834 -0.524 -0.497 0.816  O1   G1P 7  
G1P O2   O2   O 0 1 N N N 29.653 2.484  55.016 -2.878 0.452  -0.446 O2   G1P 8  
G1P O3   O3   O 0 1 N N N 28.311 0.317  54.302 -2.011 -0.277 -3.111 O3   G1P 9  
G1P O4   O4   O 0 1 N N N 25.876 0.643  52.470 0.747  -1.160 -3.198 O4   G1P 10 
G1P O5   O5   O 0 1 N N N 27.081 4.245  52.774 0.725  1.107  -0.319 O5   G1P 11 
G1P O6   O6   O 0 1 N N N 24.159 3.416  53.286 3.433  0.316  -0.362 O6   G1P 12 
G1P P    P    P 0 1 N N N 30.902 3.149  51.805 -0.155 -0.243 2.362  P    G1P 13 
G1P O1P  O1P  O 0 1 N N N 31.273 2.266  50.553 -1.191 0.612  2.982  O1P  G1P 14 
G1P O2P  O2P  O 0 1 N N N 31.523 4.615  51.774 -0.088 -1.652 3.137  O2P  G1P 15 
G1P O3P  O3P  O 0 1 N N N 31.265 2.321  53.080 1.274  0.490  2.458  O3P  G1P 16 
G1P H1   H1   H 0 1 N N N 29.096 4.868  53.378 -0.871 1.535  0.913  H1   G1P 17 
G1P H2   H2   H 0 1 N N N 27.836 3.223  54.924 -1.598 1.719  -1.460 H2   G1P 18 
G1P H3   H3   H 0 1 N N N 28.624 1.207  52.517 -1.245 -1.314 -1.495 H3   G1P 19 
G1P H4   H4   H 0 1 N N N 26.127 1.994  54.105 0.351  0.852  -2.940 H4   G1P 20 
G1P H5   H5   H 0 1 N N N 26.840 2.872  51.146 1.076  -0.911 -0.556 H5   G1P 21 
G1P H61  1H6  H 0 1 N N N 24.568 4.038  51.272 2.703  1.156  -2.103 H61  G1P 22 
G1P H62  2H6  H 0 1 N N N 24.345 2.367  51.421 2.952  -0.605 -2.147 H62  G1P 23 
G1P HO2  HO2  H 0 1 N N N 29.637 1.798  55.673 -3.097 1.154  0.182  HO2  G1P 24 
G1P HO3  HO3  H 0 1 N N N 28.033 -0.479 53.865 -2.914 -0.428 -2.799 HO3  G1P 25 
G1P HO4  HO4  H 0 1 N N N 24.967 0.827  52.263 0.168  -1.188 -3.972 HO4  G1P 26 
G1P HO6  HO6  H 0 1 N N N 23.221 3.532  53.185 4.341  0.453  -0.662 HO6  G1P 27 
G1P HOP2 2HOP H 0 0 N N N 32.441 4.372  51.757 0.134  -1.455 4.057  HOP2 G1P 28 
G1P HOP3 3HOP H 0 0 N N N 32.183 2.078  53.063 1.919  -0.099 2.044  HOP3 G1P 29 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
G1P C1  C2   SING N N 1  
G1P C1  O1   SING N N 2  
G1P C1  O5   SING N N 3  
G1P C1  H1   SING N N 4  
G1P C2  C3   SING N N 5  
G1P C2  O2   SING N N 6  
G1P C2  H2   SING N N 7  
G1P C3  C4   SING N N 8  
G1P C3  O3   SING N N 9  
G1P C3  H3   SING N N 10 
G1P C4  C5   SING N N 11 
G1P C4  O4   SING N N 12 
G1P C4  H4   SING N N 13 
G1P C5  C6   SING N N 14 
G1P C5  O5   SING N N 15 
G1P C5  H5   SING N N 16 
G1P C6  O6   SING N N 17 
G1P C6  H61  SING N N 18 
G1P C6  H62  SING N N 19 
G1P O1  P    SING N N 20 
G1P O2  HO2  SING N N 21 
G1P O3  HO3  SING N N 22 
G1P O4  HO4  SING N N 23 
G1P O6  HO6  SING N N 24 
G1P P   O1P  DOUB N N 25 
G1P P   O2P  SING N N 26 
G1P P   O3P  SING N N 27 
G1P O2P HOP2 SING N N 28 
G1P O3P HOP3 SING N N 29 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
G1P SMILES           ACDLabs              10.04 O=P(OC1OC(C(O)C(O)C1O)CO)(O)O                                                                                       
G1P InChI            InChI                1.02b InChI=1/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1/f/h11-12H 
G1P InChIKey         InChI                1.02b HXXFSFRBOHSIMQ-JVKUBTDQDX                                                                                           
G1P SMILES_CANONICAL CACTVS               3.341 OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O                                                               
G1P SMILES           CACTVS               3.341 OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O                                                                      
G1P SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O                                                             
G1P SMILES           "OpenEye OEToolkits" 1.5.0 C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O                                                                                   
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
G1P "SYSTEMATIC NAME" ACDLabs              10.04 1-O-phosphono-alpha-D-glucopyranose                                                   
G1P "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate" 
# 
