data_G3H
# 
_chem_comp.id                                    G3H 
_chem_comp.name                                  GLYCERALDEHYDE-3-PHOSPHATE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C3 H7 O6 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                        170.058 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     G3H 
_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        ? 
_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 
G3H O1   O1   O 0 1 N N N 79.841 60.296 5.550 -0.400 -0.523 -3.970 O1   G3H 1  
G3H C1   C1   C 0 1 N N N 78.537 59.857 5.131 -0.797 0.167  -3.063 C1   G3H 2  
G3H C2   C2   C 0 1 N N R 78.202 60.414 3.712 0.151  0.605  -1.978 C2   G3H 3  
G3H O2   O2   O 0 1 N N N 76.811 60.773 3.644 1.453  0.078  -2.242 O2   G3H 4  
G3H C3   C3   C 0 1 N N N 78.473 59.399 2.556 -0.343 0.085  -0.627 C3   G3H 5  
G3H O1P  O1P  O 0 1 N N N 79.871 59.166 2.194 0.556  0.499  0.402  O1P  G3H 6  
G3H O2P  O2P  O 0 1 N N N 81.980 57.901 1.311 -0.093 -1.555 1.715  O2P  G3H 7  
G3H O3P  O3P  O 0 1 N N N 80.619 56.885 3.167 0.947  0.353  2.998  O3P  G3H 8  
G3H O4P  O4P  O 0 1 N N N 79.754 56.894 0.860 -1.496 0.516  2.044  O4P  G3H 9  
G3H P    P    P 0 1 N N N 80.547 57.714 1.884 -0.023 -0.079 1.788  P    G3H 10 
G3H H11  1H1  H 0 1 N N N 77.912 59.215 5.775 -1.833 0.472  -3.030 H11  G3H 11 
G3H H2   H2   H 0 1 N N N 78.874 61.292 3.570 0.198  1.693  -1.953 H2   G3H 12 
G3H HO2  HO2  H 0 1 N N N 76.607 61.112 2.780 1.367  -0.884 -2.256 HO2  G3H 13 
G3H H31  1H3  H 0 1 N N N 77.982 58.426 2.791 -1.336 0.487  -0.425 H31  G3H 14 
G3H H32  2H3  H 0 1 N N N 77.899 59.704 1.649 -0.390 -1.003 -0.651 H32  G3H 15 
G3H HOP3 3HOP H 0 0 N N N 81.012 56.039 2.986 0.565  -0.012 3.807  HOP3 G3H 16 
G3H HOP4 4HOP H 0 0 N N N 80.147 56.048 0.679 -1.406 1.478  2.084  HOP4 G3H 17 
# 
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 
G3H O1  C1   DOUB N N 1  
G3H C1  C2   SING N N 2  
G3H C1  H11  SING N N 3  
G3H C2  O2   SING N N 4  
G3H C2  C3   SING N N 5  
G3H C2  H2   SING N N 6  
G3H O2  HO2  SING N N 7  
G3H C3  O1P  SING N N 8  
G3H C3  H31  SING N N 9  
G3H C3  H32  SING N N 10 
G3H O1P P    SING N N 11 
G3H O2P P    DOUB N N 12 
G3H O3P P    SING N N 13 
G3H O3P HOP3 SING N N 14 
G3H O4P P    SING N N 15 
G3H O4P HOP4 SING N N 16 
# 
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 
G3H SMILES           ACDLabs              10.04 O=P(O)(O)OCC(O)C=O                                                             
G3H InChI            InChI                1.02b InChI=1/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1/f/h6-7H 
G3H InChIKey         InChI                1.02b LXJXRIRHZLFYRP-PRLLIMAUDK                                                      
G3H SMILES_CANONICAL CACTVS               3.341 O[C@H](CO[P](O)(O)=O)C=O                                                       
G3H SMILES           CACTVS               3.341 O[CH](CO[P](O)(O)=O)C=O                                                        
G3H SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C([C@H](C=O)O)OP(=O)(O)O                                                       
G3H SMILES           "OpenEye OEToolkits" 1.5.0 C(C(C=O)O)OP(=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 
G3H "SYSTEMATIC NAME" ACDLabs              10.04 "(2R)-2-hydroxy-3-oxopropyl dihydrogen phosphate"    
G3H "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-2-hydroxy-3-oxo-propyl] dihydrogen phosphate" 
# 
