data_0HQ
# 
_chem_comp.id                                    0HQ 
_chem_comp.name                                  diazomethane 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C H2 N2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "DIAZOMETHYL GROUP" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2008-12-09 
_chem_comp.pdbx_modified_date                    2024-09-27 
_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                        42.040 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     0HQ 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        2djf 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              Y 
# 
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.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
0HQ C1 C1 C 0  1 N N N Y Y N 0.530  2.239 0.000 1.182  0.000  -0.000 C1 0HQ 1 
0HQ N1 N1 N 1  1 N Y N Y Y N 0.722  1.370 0.000 -0.068 0.000  -0.000 N1 0HQ 2 
0HQ N2 N2 N -1 1 N Y N Y Y N 0.737  0.471 0.000 -1.192 0.000  0.000  N2 0HQ 3 
0HQ H1 H1 H 0  1 N Y N Y Y N -0.500 2.564 0.000 1.722  0.935  0.002  H1 0HQ 4 
0HQ H2 H2 H 0  1 N Y N Y Y N 1.327  2.968 0.000 1.722  -0.935 0.002  H2 0HQ 5 
# 
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 
0HQ C1 N1 DOUB N N 1 
0HQ N1 N2 DOUB N N 2 
0HQ C1 H1 SING N N 3 
0HQ C1 H2 SING N N 4 
# 
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 
0HQ SMILES           ACDLabs              12.01 "[N-]=[N+]=C"               
0HQ SMILES_CANONICAL CACTVS               3.370 "C=[N+]=[N-]"               
0HQ SMILES           CACTVS               3.370 "C=[N+]=[N-]"               
0HQ SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "C=[N+]=[N-]"               
0HQ SMILES           "OpenEye OEToolkits" 1.7.0 "C=[N+]=[N-]"               
0HQ InChI            InChI                1.03  InChI=1S/CH2N2/c1-3-2/h1H2  
0HQ InChIKey         InChI                1.03  YXHKONLOYHBTNS-UHFFFAOYSA-N 
# 
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 
0HQ "SYSTEMATIC NAME" ACDLabs              12.01 diazomethane 
0HQ "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 diazomethane 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
0HQ "Create component"   2008-12-09 RCSB 
0HQ "Other modification" 2010-09-21 RCSB 
0HQ "Other modification" 2010-09-22 RCSB 
0HQ "Modify descriptor"  2011-06-04 RCSB 
0HQ "Modify synonyms"    2021-03-01 PDBE 
0HQ "Modify backbone"    2023-11-03 PDBE 
0HQ "Modify PCM"         2024-09-27 PDBE 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      0HQ 
_pdbx_chem_comp_synonyms.name         "DIAZOMETHYL GROUP" 
_pdbx_chem_comp_synonyms.provenance   ? 
_pdbx_chem_comp_synonyms.type         ? 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            0HQ 
_pdbx_chem_comp_pcm.modified_residue_id                ? 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Non-standard residue" 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain and backbone" 
_pdbx_chem_comp_pcm.polypeptide_position               C-terminal 
_pdbx_chem_comp_pcm.comp_id_linking_atom               ? 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   ? 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
