data_DGA
# 
_chem_comp.id                                    DGA 
_chem_comp.name                                  "DIACYL GLYCEROL" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C39 H76 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2001-10-31 
_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                        625.018 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     DGA 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1K4C 
_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 
DGA CA1  CA1  C 0 1 N N N 165.096 138.737 -29.005 -8.973  12.692 -4.691 CA1  DGA 1   
DGA CA2  CA2  C 0 1 N N N 165.422 139.686 -30.114 -9.973  13.301 -5.647 CA2  DGA 2   
DGA CA3  CA3  C 0 1 N N N 164.534 139.447 -31.305 -11.033 14.126 -4.917 CA3  DGA 3   
DGA CA4  CA4  C 0 1 N N N 165.110 140.093 -32.543 -12.010 14.770 -5.903 CA4  DGA 4   
DGA CA5  CA5  C 0 1 N N N 164.273 139.757 -33.756 -13.052 15.667 -5.228 CA5  DGA 5   
DGA CA6  CA6  C 0 1 N N N 164.873 140.346 -35.008 -13.984 16.369 -6.220 CA6  DGA 6   
DGA CA7  CA7  C 0 1 N N N 164.056 139.977 -36.226 -15.022 17.225 -5.490 CA7  DGA 7   
DGA CA8  CA8  C 0 1 N N N 164.700 140.521 -37.483 -15.991 17.946 -6.432 CA8  DGA 8   
DGA CA9  CA9  C 0 1 N N N 163.929 140.104 -38.721 -16.790 17.052 -7.386 CA9  DGA 9   
DGA CAA  AC10 C 0 1 N N N ?       ?       ?       -17.738 16.088 -6.668 CAA  DGA 10  
DGA CBA  AC11 C 0 1 N N N ?       ?       ?       -18.526 15.241 -7.671 CBA  DGA 11  
DGA CCA  AC12 C 0 1 N N N ?       ?       ?       -19.512 14.274 -7.007 CCA  DGA 12  
DGA CDA  AC13 C 0 1 N N N ?       ?       ?       -20.280 13.410 -8.011 CDA  DGA 13  
DGA CEA  AC14 C 0 1 N N N ?       ?       ?       -21.258 12.435 -7.346 CEA  DGA 14  
DGA CFA  AC15 C 0 1 N N N ?       ?       ?       -22.008 11.551 -8.346 CFA  DGA 15  
DGA CGA  AC16 C 0 1 N N N ?       ?       ?       -23.020 10.650 -7.634 CGA  DGA 16  
DGA CHA  AC17 C 0 1 N N N ?       ?       ?       -23.784 9.726  -8.585 CHA  DGA 17  
DGA CIA  AC18 C 0 1 N N N ?       ?       ?       -24.809 8.847  -7.886 CIA  DGA 18  
DGA OA1  OA1  O 0 1 N N N 164.121 138.957 -28.253 -8.647  13.168 -3.613 OA1  DGA 19  
DGA CB1  CB1  C 0 1 N N N 168.757 135.474 -28.847 -8.919  8.345  -4.258 CB1  DGA 20  
DGA CB2  CB2  C 0 1 N N N 168.229 135.367 -30.284 -10.381 8.171  -4.599 CB2  DGA 21  
DGA CB3  CB3  C 0 1 N N N 169.211 135.912 -31.305 -11.206 7.751  -3.383 CB3  DGA 22  
DGA CB4  CB4  C 0 1 N N N 168.543 136.939 -32.229 -12.689 7.621  -3.737 CB4  DGA 23  
DGA CB5  CB5  C 0 1 N N N 169.252 137.697 -33.205 -13.574 7.272  -2.536 CB5  DGA 24  
DGA CB6  CB6  C 0 1 N N N 170.775 137.589 -33.436 -15.065 7.214  -2.875 CB6  DGA 25  
DGA CB7  CB7  C 0 1 N N N 171.574 138.637 -32.639 -15.896 6.830  -1.648 CB7  DGA 26  
DGA CB8  CB8  C 0 1 N N N 171.520 140.033 -33.259 -17.399 6.748  -1.929 CB8  DGA 27  
DGA CB9  CB9  C 0 1 N N N 172.577 140.217 -34.338 -18.072 8.052  -2.367 CB9  DGA 28  
DGA CAB  BC10 C 0 1 N N N 172.608 141.660 -34.842 -19.587 7.927  -2.550 CAB  DGA 29  
DGA CBB  BC11 C 0 1 N N N 173.913 141.989 -35.563 -20.205 9.265  -2.962 CBB  DGA 30  
DGA CCB  BC12 C 0 1 N N N 175.086 142.078 -34.592 -21.727 9.204  -3.134 CCB  DGA 31  
DGA CDB  BC13 C 0 1 N N N 176.411 142.178 -35.321 -22.340 10.537 -3.571 CDB  DGA 32  
DGA CEB  BC14 C 0 1 N N N 177.569 142.133 -34.340 -23.860 10.473 -3.754 CEB  DGA 33  
DGA CFB  BC15 C 0 1 N N N ?       ?       ?       -24.472 11.798 -4.217 CFB  DGA 34  
DGA CGB  BC16 C 0 1 N N N ?       ?       ?       -25.997 11.697 -4.314 CGB  DGA 35  
DGA CHB  BC17 C 0 1 N N N ?       ?       ?       -26.661 12.988 -4.795 CHB  DGA 36  
DGA CIB  BC18 C 0 1 N N N ?       ?       ?       -28.178 12.901 -4.868 CIB  DGA 37  
DGA OB1  OB1  O 0 1 N N N 169.737 134.799 -28.480 -8.425  8.160  -3.154 OB1  DGA 38  
DGA OG1  OG1  O 0 1 N N N 165.884 137.536 -28.890 -8.499  11.529 -5.230 OG1  DGA 39  
DGA CG1  CG1  C 0 1 N N N 165.757 136.934 -27.640 -7.536  10.830 -4.435 CG1  DGA 40  
DGA CG2  CG2  C 0 1 N N S 166.830 135.889 -27.424 -7.096  9.559  -5.154 CG2  DGA 41  
DGA OG2  OG2  O 0 1 N N N 168.119 136.373 -27.923 -8.246  8.740  -5.380 OG2  DGA 42  
DGA CG3  CG3  C 0 1 N N N 166.922 135.546 -25.927 -6.469  9.873  -6.506 CG3  DGA 43  
DGA OXT  OXT  O 0 1 N N N 165.618 135.242 -25.348 -6.054  8.655  -7.116 OXT  DGA 44  
DGA HA21 1HA2 H 0 0 N N N 165.274 140.716 -29.758 -10.455 12.488 -6.202 HA21 DGA 45  
DGA HA22 2HA2 H 0 0 N N N 166.467 139.527 -30.417 -9.427  13.940 -6.351 HA22 DGA 46  
DGA HA31 1HA3 H 0 0 N N N 164.445 138.364 -31.474 -11.573 13.477 -4.218 HA31 DGA 47  
DGA HA32 2HA3 H 0 0 N N N 163.547 139.888 -31.103 -10.545 14.904 -4.317 HA32 DGA 48  
DGA HA41 1HA4 H 0 0 N N N 165.124 141.184 -32.406 -12.517 13.990 -6.485 HA41 DGA 49  
DGA HA42 2HA4 H 0 0 N N N 166.131 139.714 -32.699 -11.446 15.381 -6.618 HA42 DGA 50  
DGA HA51 1HA5 H 0 0 N N N 164.223 138.663 -33.864 -13.643 15.075 -4.520 HA51 DGA 51  
DGA HA52 2HA5 H 0 0 N N N 163.267 140.180 -33.616 -12.520 16.425 -4.640 HA52 DGA 52  
DGA HA61 1HA6 H 0 0 N N N 164.897 141.442 -34.912 -13.395 17.001 -6.895 HA61 DGA 53  
DGA HA62 2HA6 H 0 0 N N N 165.890 139.945 -35.132 -14.495 15.620 -6.833 HA62 DGA 54  
DGA HA71 1HA7 H 0 0 N N N 163.993 138.881 -36.299 -14.504 17.985 -4.892 HA71 DGA 55  
DGA HA72 2HA7 H 0 0 N N N 163.051 140.412 -36.125 -15.581 16.606 -4.779 HA72 DGA 56  
DGA HA81 1HA8 H 0 0 N N N 164.717 141.619 -37.427 -16.693 18.531 -5.824 HA81 DGA 57  
DGA HA82 2HA8 H 0 0 N N N 165.720 140.116 -37.555 -15.427 18.672 -7.032 HA82 DGA 58  
DGA HA91 1HA9 H 0 0 N N N 163.499 141.010 -39.173 -16.107 16.489 -8.033 HA91 DGA 59  
DGA HA92 2HA9 H 0 0 N N N 164.642 139.585 -39.379 -17.374 17.702 -8.049 HA92 DGA 60  
DGA HAT1 1HAT H 0 0 N N N ?       ?       ?       -17.162 15.431 -6.009 HAT1 DGA 61  
DGA HAT2 2HAT H 0 0 N N N ?       ?       ?       -18.434 16.656 -6.040 HAT2 DGA 62  
DGA HAE1 1HAE H 0 0 N N N ?       ?       ?       -19.094 15.905 -8.334 HAE1 DGA 63  
DGA HAE2 2HAE H 0 0 N N N ?       ?       ?       -17.832 14.678 -8.307 HAE2 DGA 64  
DGA HAW1 1HAW H 0 0 N N N ?       ?       ?       -20.227 14.865 -6.421 HAW1 DGA 65  
DGA HAW2 2HAW H 0 0 N N N ?       ?       ?       -18.969 13.639 -6.299 HAW2 DGA 66  
DGA HAH1 1HAH H 0 0 N N N ?       ?       ?       -20.852 14.061 -8.683 HAH1 DGA 67  
DGA HAH2 2HAH H 0 0 N N N ?       ?       ?       -19.581 12.843 -8.635 HAH2 DGA 68  
DGA HAF1 1HAF H 0 0 N N N ?       ?       ?       -20.719 11.807 -6.627 HAF1 DGA 69  
DGA HAF2 2HAF H 0 0 N N N ?       ?       ?       -21.985 13.021 -6.770 HAF2 DGA 70  
DGA HAN1 1HAN H 0 0 N N N ?       ?       ?       -22.521 12.189 -9.074 HAN1 DGA 71  
DGA HAN2 2HAN H 0 0 N N N ?       ?       ?       -21.299 10.926 -8.900 HAN2 DGA 72  
DGA HAS1 1HAS H 0 0 N N N ?       ?       ?       -22.492 10.026 -6.902 HAS1 DGA 73  
DGA HAS2 2HAS H 0 0 N N N ?       ?       ?       -23.732 11.265 -7.070 HAS2 DGA 74  
DGA HAV1 1HAV H 0 0 N N N ?       ?       ?       -23.061 9.079  -9.096 HAV1 DGA 75  
DGA HAV2 2HAV H 0 0 N N N ?       ?       ?       -24.282 10.319 -9.362 HAV2 DGA 76  
DGA HAG1 1HAG H 0 0 N N N ?       ?       ?       -25.252 8.145  -8.600 HAG1 DGA 77  
DGA HAG2 2HAG H 0 0 N N N ?       ?       ?       -25.623 9.440  -7.459 HAG2 DGA 78  
DGA HAG3 3HAG H 0 0 N N N ?       ?       ?       -24.345 8.265  -7.083 HAG3 DGA 79  
DGA HB21 1HB2 H 0 0 N N N 168.044 134.306 -30.510 -10.461 7.408  -5.381 HB21 DGA 80  
DGA HB22 2HB2 H 0 0 N N N 167.309 135.966 -30.350 -10.756 9.124  -4.989 HB22 DGA 81  
DGA HB31 1HB3 H 0 0 N N N 170.042 136.399 -30.774 -10.824 6.797  -3.002 HB31 DGA 82  
DGA HB32 2HB3 H 0 0 N N N 169.574 135.075 -31.920 -11.080 8.487  -2.580 HB32 DGA 83  
DGA HB41 1HB4 H 0 0 N N N 167.796 136.367 -32.799 -12.819 6.866  -4.521 HB41 DGA 84  
DGA HB42 2HB4 H 0 0 N N N 168.241 137.720 -31.515 -13.042 8.573  -4.154 HB42 DGA 85  
DGA HB51 1HB5 H 0 0 N N N 168.798 137.416 -34.167 -13.253 6.313  -2.110 HB51 DGA 86  
DGA HB52 2HB5 H 0 0 N N N 169.161 138.716 -32.802 -13.412 8.031  -1.761 HB52 DGA 87  
DGA HB61 1HB6 H 0 0 N N N 171.104 136.588 -33.120 -15.395 8.190  -3.252 HB61 DGA 88  
DGA HB62 2HB6 H 0 0 N N N 170.964 137.768 -34.505 -15.231 6.482  -3.671 HB62 DGA 89  
DGA HB71 1HB7 H 0 0 N N N 171.152 138.694 -31.625 -15.740 7.579  -0.861 HB71 DGA 90  
DGA HB72 2HB7 H 0 0 N N N 172.627 138.318 -32.638 -15.537 5.879  -1.239 HB72 DGA 91  
DGA HB81 1HB8 H 0 0 N N N 170.527 140.180 -33.710 -17.564 5.987  -2.702 HB81 DGA 92  
DGA HB82 2HB8 H 0 0 N N N 171.712 140.768 -32.463 -17.908 6.383  -1.027 HB82 DGA 93  
DGA HB91 1HB9 H 0 0 N N N 173.562 139.965 -33.918 -17.615 8.417  -3.294 HB91 DGA 94  
DGA HB92 2HB9 H 0 0 N N N 172.331 139.557 -35.183 -17.865 8.812  -1.603 HB92 DGA 95  
DGA HBT1 1HBT H 0 0 N N N 171.773 141.805 -35.544 -19.802 7.175  -3.315 HBT1 DGA 96  
DGA HBT2 2HBT H 0 0 N N N 172.524 142.326 -33.971 -20.043 7.583  -1.614 HBT2 DGA 97  
DGA HBE1 1HBE H 0 0 N N N 174.121 141.196 -36.297 -19.978 10.017 -2.195 HBE1 DGA 98  
DGA HBE2 2HBE H 0 0 N N N 173.798 142.966 -36.055 -19.744 9.616  -3.893 HBE2 DGA 99  
DGA HBW1 1HBW H 0 0 N N N 174.959 142.973 -33.966 -22.167 8.904  -2.174 HBW1 DGA 100 
DGA HBW2 2HBW H 0 0 N N N 175.097 141.163 -33.981 -21.974 8.419  -3.857 HBW2 DGA 101 
DGA HBH1 1HBH H 0 0 N N N 176.500 141.334 -36.021 -22.119 11.300 -2.814 HBH1 DGA 102 
DGA HBH2 2HBH H 0 0 N N N 176.445 143.134 -35.865 -21.882 10.876 -4.507 HBH2 DGA 103 
DGA HBF1 1HBF H 0 0 N N N 178.632 141.907 -34.512 -24.111 9.679  -4.468 HBF1 DGA 104 
DGA HBF2 2HBF H 0 0 N N N 178.101 142.876 -33.729 -24.308 10.188 -2.794 HBF2 DGA 105 
DGA HBN1 1HBN H 0 0 N N N ?       ?       ?       -24.193 12.588 -3.511 HBN1 DGA 106 
DGA HBN2 2HBN H 0 0 N N N ?       ?       ?       -24.068 12.076 -5.197 HBN2 DGA 107 
DGA HBS1 1HBS H 0 0 N N N ?       ?       ?       -26.258 10.895 -5.016 HBS1 DGA 108 
DGA HBS2 2HBS H 0 0 N N N ?       ?       ?       -26.412 11.411 -3.339 HBS2 DGA 109 
DGA HBV1 1HBV H 0 0 N N N ?       ?       ?       -26.277 13.224 -5.795 HBV1 DGA 110 
DGA HBV2 2HBV H 0 0 N N N ?       ?       ?       -26.375 13.821 -4.142 HBV2 DGA 111 
DGA HBG1 1HBG H 0 0 N N N ?       ?       ?       -28.586 13.816 -5.308 HBG1 DGA 112 
DGA HBG2 2HBG H 0 0 N N N ?       ?       ?       -28.622 12.784 -3.876 HBG2 DGA 113 
DGA HBG3 3HBG H 0 0 N N N ?       ?       ?       -28.493 12.057 -5.490 HBG3 DGA 114 
DGA HG11 1HG1 H 0 0 N N N 165.850 137.706 -26.862 -6.692  11.503 -4.255 HG11 DGA 115 
DGA HG12 2HG1 H 0 0 N N N 164.775 136.442 -27.588 -8.012  10.597 -3.478 HG12 DGA 116 
DGA HG2  HG2  H 0 1 N N N 166.567 134.979 -27.982 -6.407  8.973  -4.536 HG2  DGA 117 
DGA HG31 1HG3 H 0 0 N N N 167.571 134.666 -25.809 -5.586  10.511 -6.395 HG31 DGA 118 
DGA HG32 2HG3 H 0 0 N N N 167.328 136.424 -25.403 -7.190  10.358 -7.172 HG32 DGA 119 
DGA HXT  HXT  H 0 1 N N N 165.698 135.176 -24.404 -6.201  8.759  -8.070 HXT  DGA 120 
# 
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 
DGA CA1 CA2  SING N N 1   
DGA CA1 OA1  DOUB N N 2   
DGA CA1 OG1  SING N N 3   
DGA CA2 CA3  SING N N 4   
DGA CA2 HA21 SING N N 5   
DGA CA2 HA22 SING N N 6   
DGA CA3 CA4  SING N N 7   
DGA CA3 HA31 SING N N 8   
DGA CA3 HA32 SING N N 9   
DGA CA4 CA5  SING N N 10  
DGA CA4 HA41 SING N N 11  
DGA CA4 HA42 SING N N 12  
DGA CA5 CA6  SING N N 13  
DGA CA5 HA51 SING N N 14  
DGA CA5 HA52 SING N N 15  
DGA CA6 CA7  SING N N 16  
DGA CA6 HA61 SING N N 17  
DGA CA6 HA62 SING N N 18  
DGA CA7 CA8  SING N N 19  
DGA CA7 HA71 SING N N 20  
DGA CA7 HA72 SING N N 21  
DGA CA8 CA9  SING N N 22  
DGA CA8 HA81 SING N N 23  
DGA CA8 HA82 SING N N 24  
DGA CA9 CAA  SING N N 25  
DGA CA9 HA91 SING N N 26  
DGA CA9 HA92 SING N N 27  
DGA CAA CBA  SING N N 28  
DGA CAA HAT1 SING N N 29  
DGA CAA HAT2 SING N N 30  
DGA CBA CCA  SING N N 31  
DGA CBA HAE1 SING N N 32  
DGA CBA HAE2 SING N N 33  
DGA CCA CDA  SING N N 34  
DGA CCA HAW1 SING N N 35  
DGA CCA HAW2 SING N N 36  
DGA CDA CEA  SING N N 37  
DGA CDA HAH1 SING N N 38  
DGA CDA HAH2 SING N N 39  
DGA CEA CFA  SING N N 40  
DGA CEA HAF1 SING N N 41  
DGA CEA HAF2 SING N N 42  
DGA CFA CGA  SING N N 43  
DGA CFA HAN1 SING N N 44  
DGA CFA HAN2 SING N N 45  
DGA CGA CHA  SING N N 46  
DGA CGA HAS1 SING N N 47  
DGA CGA HAS2 SING N N 48  
DGA CHA CIA  SING N N 49  
DGA CHA HAV1 SING N N 50  
DGA CHA HAV2 SING N N 51  
DGA CIA HAG1 SING N N 52  
DGA CIA HAG2 SING N N 53  
DGA CIA HAG3 SING N N 54  
DGA CB1 CB2  SING N N 55  
DGA CB1 OB1  DOUB N N 56  
DGA CB1 OG2  SING N N 57  
DGA CB2 CB3  SING N N 58  
DGA CB2 HB21 SING N N 59  
DGA CB2 HB22 SING N N 60  
DGA CB3 CB4  SING N N 61  
DGA CB3 HB31 SING N N 62  
DGA CB3 HB32 SING N N 63  
DGA CB4 CB5  SING N N 64  
DGA CB4 HB41 SING N N 65  
DGA CB4 HB42 SING N N 66  
DGA CB5 CB6  SING N N 67  
DGA CB5 HB51 SING N N 68  
DGA CB5 HB52 SING N N 69  
DGA CB6 CB7  SING N N 70  
DGA CB6 HB61 SING N N 71  
DGA CB6 HB62 SING N N 72  
DGA CB7 CB8  SING N N 73  
DGA CB7 HB71 SING N N 74  
DGA CB7 HB72 SING N N 75  
DGA CB8 CB9  SING N N 76  
DGA CB8 HB81 SING N N 77  
DGA CB8 HB82 SING N N 78  
DGA CB9 CAB  SING N N 79  
DGA CB9 HB91 SING N N 80  
DGA CB9 HB92 SING N N 81  
DGA CAB CBB  SING N N 82  
DGA CAB HBT1 SING N N 83  
DGA CAB HBT2 SING N N 84  
DGA CBB CCB  SING N N 85  
DGA CBB HBE1 SING N N 86  
DGA CBB HBE2 SING N N 87  
DGA CCB CDB  SING N N 88  
DGA CCB HBW1 SING N N 89  
DGA CCB HBW2 SING N N 90  
DGA CDB CEB  SING N N 91  
DGA CDB HBH1 SING N N 92  
DGA CDB HBH2 SING N N 93  
DGA CEB CFB  SING N N 94  
DGA CEB HBF1 SING N N 95  
DGA CEB HBF2 SING N N 96  
DGA CFB CGB  SING N N 97  
DGA CFB HBN1 SING N N 98  
DGA CFB HBN2 SING N N 99  
DGA CGB CHB  SING N N 100 
DGA CGB HBS1 SING N N 101 
DGA CGB HBS2 SING N N 102 
DGA CHB CIB  SING N N 103 
DGA CHB HBV1 SING N N 104 
DGA CHB HBV2 SING N N 105 
DGA CIB HBG1 SING N N 106 
DGA CIB HBG2 SING N N 107 
DGA CIB HBG3 SING N N 108 
DGA OG1 CG1  SING N N 109 
DGA CG1 CG2  SING N N 110 
DGA CG1 HG11 SING N N 111 
DGA CG1 HG12 SING N N 112 
DGA CG2 OG2  SING N N 113 
DGA CG2 CG3  SING N N 114 
DGA CG2 HG2  SING N N 115 
DGA CG3 OXT  SING N N 116 
DGA CG3 HG31 SING N N 117 
DGA CG3 HG32 SING N N 118 
DGA OXT HXT  SING N N 119 
# 
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 
DGA SMILES           ACDLabs              10.04 O=C(OC(COC(=O)CCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCC                                                                                                                         
DGA InChI            InChI                1.02b InChI=1/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1 
DGA InChIKey         InChI                1.02b UHUSDOQQWJGJQS-QNGWXLTQBO                                                                                                                                                    
DGA SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC                                                                                                                     
DGA SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCCCCCC                                                                                                                      
DGA SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC                                                                                                                     
DGA SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC                                                                                                                         
# 
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 
DGA "SYSTEMATIC NAME" ACDLabs              10.04 "(2S)-3-hydroxypropane-1,2-diyl dioctadecanoate"          
DGA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2S)-3-hydroxy-2-octadecanoyloxy-propyl] octadecanoate" 
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