Np mrd loader

Showing NP-Card for Concanamycin A (NP0022063)

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Record Information
Version2.0
Created at2021-01-06 07:17:12 UTC
Updated at2021-07-15 17:38:02 UTC
NP-MRD IDNP0022063
Secondary Accession NumbersNone
Natural Product Identification
Common NameConcanamycin A
Provided ByNPAtlasNPAtlas Logo
Description{[(2R,3S,4R,6R)-6-{[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4Z,6Z,9R,10S,11S,12R,13R,14Z,16E)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(1E)-prop-1-en-1-yl]oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}methanimidic acid belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Concanamycin A is found in Streptomyces. Concanamycin A was first documented in 2020 (PMID: 33612713). Based on a literature review very few articles have been published on {[(2R,3S,4R,6R)-6-{[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4Z,6Z,9R,10S,11S,12R,13R,14Z,16E)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(1E)-prop-1-en-1-yl]oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}methanimidic acid (PMID: 33465003) (PMID: 34270960) (PMID: 34176421) (PMID: 34160280) (PMID: 33487099) (PMID: 33329680).
Structure
Thumb
MOL3D MOLSDF3D SDFPDBSMILESInChI

MOL for NP0022063 (Concanamycin A)


  Mrv1652307042108033D          

136138  0  0  0  0            999 V2000
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 38108  1  0  0  0  0
 38109  1  0  0  0  0
 38110  1  0  0  0  0
 39111  1  0  0  0  0
 40112  1  0  0  0  0
 41113  1  0  0  0  0
 42114  1  1  0  0  0
 44115  1  0  0  0  0
 44116  1  0  0  0  0
 44117  1  0  0  0  0
 45118  1  0  0  0  0
 45119  1  0  0  0  0
 46120  1  1  0  0  0
 48121  1  1  0  0  0
 49122  1  0  0  0  0
 49123  1  0  0  0  0
 50124  1  6  0  0  0
 51125  1  0  0  0  0
 52126  1  6  0  0  0
 55127  1  0  0  0  0
 55128  1  0  0  0  0
 57129  1  1  0  0  0
 58130  1  0  0  0  0
 58131  1  0  0  0  0
 58132  1  0  0  0  0
 60133  1  6  0  0  0
 61134  1  0  0  0  0
 61135  1  0  0  0  0
 61136  1  0  0  0  0
M  END
Download

3D MOL for NP0022063 (Concanamycin A)

     RDKit          3D

136138  0  0  0  0  0  0  0  0999 V2000
   -4.0781   -6.0613    1.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9229   -4.6286    0.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7007   -3.7101    1.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5912   -2.2660    1.0203 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2731   -1.8102    1.0734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2863   -0.4442    0.8645 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3137    0.0676    1.6960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330    0.2617    1.2926 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8451    0.0337    2.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8179   -0.1303    0.4812 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4839   -1.4459    0.5200 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3044    0.8241    0.7961 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0182    2.2573    0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6738    0.3618    0.4528 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9631   -0.8172    1.1856 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0829   -1.0265    2.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1267   -1.7232    3.1384 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1019   -0.6185    3.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7588    0.4151    4.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0284    1.7572    4.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3404   -1.0765    3.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9342   -2.1019    2.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1053   -3.5324    3.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4643   -1.9033    1.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5838   -0.6051    0.8798 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0129    0.4000    1.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7107   -0.7715   -0.1277 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3346   -1.8306   -0.9834 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3373    0.3409   -0.7765 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8348   -0.0742   -0.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4504   -0.3496    0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8985    0.8526   -2.0964 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7687    0.2897   -3.0714 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125    0.5447   -2.5179 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5803   -0.2959   -3.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6101    1.6803   -2.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1664    2.6121   -1.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870    3.3783   -1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8979    2.8662   -1.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7737    2.2806   -2.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3119    1.0690   -1.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8477    0.0817   -1.0394 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4103   -1.1776   -1.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683   -2.0822   -1.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7176   -0.1526   -0.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1926   -0.5392   -0.6160 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6772   -0.2043   -1.8516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7213    0.7217   -1.6573 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5215    2.0005   -2.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8978    2.5941   -2.6510 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.3287    2.3150   -3.9435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9004    2.1558   -1.6163 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.5428    2.7680   -0.3859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3633    3.6526    0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9252    4.2176    1.4902 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4683    3.9310   -0.2472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9391    0.6761   -1.3978 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.2174    0.0270   -1.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8865    0.0825   -2.1182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2158   -2.0443   -0.3436 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6479   -2.4880   -0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4229   -6.6776    0.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7924   -6.2028    1.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0956   -6.4292    1.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1794   -4.3491    0.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4368   -4.0837    2.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2416   -1.7116    1.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2668    1.0628    1.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1937    1.3466    1.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8767    0.1431    3.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106   -0.9673    3.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700    0.8620    3.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1162    0.1003   -0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9116   -1.9829    1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3098    0.8234    1.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9117    2.8456    0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5370    2.3708   -0.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    2.7157    1.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3835    1.1435    0.7916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0850    2.0059    4.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6295    2.2942    5.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014    2.1168    3.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9436   -0.6361    4.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2621   -4.1732    3.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2038   -3.5432    4.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   -3.9385    2.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8838   -2.7771    1.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370   -0.2929    0.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0877    0.9751    2.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6965    1.1444    1.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4980   -0.0971    2.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5070   -1.2973    0.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1284   -2.2124   -1.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4581    1.2114   -0.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8859   -0.9628   -1.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3431    0.8167   -1.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8238    0.1105    1.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4399    0.1661    0.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5478   -1.4393    0.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0993    1.9293   -2.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5271    0.8640   -3.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9904   -0.1345   -1.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4332   -0.9674   -3.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5471    0.3926   -4.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6504   -0.8888   -3.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6468    1.1890   -3.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625    2.1950   -3.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7575    4.1584   -0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8906    3.8396   -1.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6992    2.6775   -0.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7838    3.6578   -0.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600    2.8677   -2.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247    0.7832   -2.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9418    0.0750   -1.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1387   -2.2442   -0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8539   -3.0872   -1.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8352   -1.9275   -2.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5317    0.8752   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1825   -0.8602   -1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7195   -0.0115    0.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8748    0.9373   -0.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8987    2.7009   -1.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0030    1.8763   -3.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8023    3.7042   -2.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3199    2.3032   -3.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9015    2.4859   -1.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9222    4.3774    1.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6942    4.4611    2.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8296    0.4153   -0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0944    0.6135   -1.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1516   -0.0366   -2.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9995   -2.6793   -1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 29 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
  6 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 50 52  1  0
 52 53  1  0
 53 54  1  0
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 54 56  2  0
 52 57  1  0
 57 58  1  0
 57 59  1  0
 46 60  1  0
 60 61  1  0
 60  4  1  0
 42 14  1  0
 59 48  1  0
  1 62  1  0
  1 63  1  0
  1 64  1  0
  2 65  1  0
  3 66  1  0
  4 67  1  1
  7 68  1  0
  8 69  1  1
  9 70  1  0
  9 71  1  0
  9 72  1  0
 10 73  1  6
 11 74  1  0
 12 75  1  1
 13 76  1  0
 13 77  1  0
 13 78  1  0
 14 79  1  1
 20 80  1  0
 20 81  1  0
 20 82  1  0
 21 83  1  0
 23 84  1  0
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 24 87  1  0
 25 88  1  6
 26 89  1  0
 26 90  1  0
 26 91  1  0
 27 92  1  1
 28 93  1  0
 29 94  1  1
 30 95  1  0
 30 96  1  0
 31 97  1  0
 31 98  1  0
 31 99  1  0
 32100  1  1
 33101  1  0
 34102  1  1
 35103  1  0
 35104  1  0
 35105  1  0
 36106  1  0
 36107  1  0
 38108  1  0
 38109  1  0
 38110  1  0
 39111  1  0
 40112  1  0
 41113  1  0
 42114  1  1
 44115  1  0
 44116  1  0
 44117  1  0
 45118  1  0
 45119  1  0
 46120  1  1
 48121  1  1
 49122  1  0
 49123  1  0
 50124  1  6
 51125  1  0
 52126  1  6
 55127  1  0
 55128  1  0
 57129  1  1
 58130  1  0
 58131  1  0
 58132  1  0
 60133  1  6
 61134  1  0
 61135  1  0
 61136  1  0
M  END
Download

3D SDF for NP0022063 (Concanamycin A)


  Mrv1652307042108033D          

136138  0  0  0  0            999 V2000
   -4.0781   -6.0613    1.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9229   -4.6286    0.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7007   -3.7101    1.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5912   -2.2660    1.0203 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2731   -1.8102    1.0734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2863   -0.4442    0.8645 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3137    0.0676    1.6960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330    0.2617    1.2926 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8451    0.0337    2.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8179   -0.1303    0.4812 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4839   -1.4459    0.5200 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3044    0.8241    0.7961 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0182    2.2573    0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6738    0.3618    0.4528 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0022063

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]([H])([C@]([H])(C([H])([H])[H])[C@@]1([H])OC(=O)\C(OC([H])([H])[H])=C(\[H])/C(=C([H])\[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])C([H])([H])\C(=C(\[H])/C(/[H])=C([H])\[C@]1([H])OC([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@]1(O[H])O[C@]([H])(C(\[H])=C(/[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)N([H])[H])[C@]([H])(O[H])C2([H])[H])C1([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15-,24-17-,25-20-,36-21+/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,46-/m1/s1

> <INCHI_KEY>
DJZCTUVALDDONK-WHSMHLFWSA-N

> <FORMULA>
C46H75NO14

> <MOLECULAR_WEIGHT>
866.099

> <EXACT_MASS>
865.518756099

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
136

> <JCHEM_AVERAGE_POLARIZABILITY>
95.31742856164534

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,6R)-6-{[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4Z,6Z,9R,10S,11S,12R,13R,14Z,16E)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(1E)-prop-1-en-1-yl]oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl carbamate

> <ALOGPS_LOGP>
4.12

> <JCHEM_LOGP>
5.592913847000003

> <ALOGPS_LOGS>
-4.83

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.685094775302087

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.676700308399345

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9683564299578915

> <JCHEM_POLAR_SURFACE_AREA>
225.92

> <JCHEM_REFRACTIVITY>
232.6526

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.28e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4R,6R)-6-{[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4Z,6Z,9R,10S,11S,12R,13R,14Z,16E)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(1E)-prop-1-en-1-yl]oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl carbamate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0022063 (Concanamycin A)

     RDKit          3D

136138  0  0  0  0  0  0  0  0999 V2000
   -4.0781   -6.0613    1.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9229   -4.6286    0.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7007   -3.7101    1.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5912   -2.2660    1.0203 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2731   -1.8102    1.0734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2863   -0.4442    0.8645 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3137    0.0676    1.6960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330    0.2617    1.2926 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8451    0.0337    2.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8179   -0.1303    0.4812 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4839   -1.4459    0.5200 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3044    0.8241    0.7961 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0182    2.2573    0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6738    0.3618    0.4528 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9631   -0.8172    1.1856 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0829   -1.0265    2.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1267   -1.7232    3.1384 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1019   -0.6185    3.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7588    0.4151    4.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0284    1.7572    4.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3404   -1.0765    3.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9342   -2.1019    2.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1053   -3.5324    3.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4643   -1.9033    1.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5838   -0.6051    0.8798 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0129    0.4000    1.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7107   -0.7715   -0.1277 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3346   -1.8306   -0.9834 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3373    0.3409   -0.7765 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8348   -0.0742   -0.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4504   -0.3496    0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8985    0.8526   -2.0964 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7687    0.2897   -3.0714 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125    0.5447   -2.5179 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5803   -0.2959   -3.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6101    1.6803   -2.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1664    2.6121   -1.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870    3.3783   -1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8979    2.8662   -1.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7737    2.2806   -2.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3119    1.0690   -1.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8477    0.0817   -1.0394 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4103   -1.1776   -1.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683   -2.0822   -1.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7176   -0.1526   -0.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1926   -0.5392   -0.6160 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6772   -0.2043   -1.8516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7213    0.7217   -1.6573 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5215    2.0005   -2.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8978    2.5941   -2.6510 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.3287    2.3150   -3.9435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9004    2.1558   -1.6163 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.5428    2.7680   -0.3859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3633    3.6526    0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9252    4.2176    1.4902 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4683    3.9310   -0.2472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9391    0.6761   -1.3978 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.2174    0.0270   -1.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8865    0.0825   -2.1182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2158   -2.0443   -0.3436 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6479   -2.4880   -0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4229   -6.6776    0.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7924   -6.2028    1.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0956   -6.4292    1.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1794   -4.3491    0.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4368   -4.0837    2.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2416   -1.7116    1.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2668    1.0628    1.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1937    1.3466    1.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8767    0.1431    3.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106   -0.9673    3.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700    0.8620    3.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1162    0.1003   -0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9116   -1.9829    1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3098    0.8234    1.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9117    2.8456    0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5370    2.3708   -0.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    2.7157    1.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3835    1.1435    0.7916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0850    2.0059    4.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6295    2.2942    5.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014    2.1168    3.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9436   -0.6361    4.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2621   -4.1732    3.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2038   -3.5432    4.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   -3.9385    2.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8838   -2.7771    1.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370   -0.2929    0.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0877    0.9751    2.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6965    1.1444    1.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4980   -0.0971    2.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5070   -1.2973    0.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1284   -2.2124   -1.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4581    1.2114   -0.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8859   -0.9628   -1.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3431    0.8167   -1.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8238    0.1105    1.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4399    0.1661    0.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5478   -1.4393    0.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0993    1.9293   -2.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5271    0.8640   -3.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9904   -0.1345   -1.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4332   -0.9674   -3.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5471    0.3926   -4.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6504   -0.8888   -3.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6468    1.1890   -3.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625    2.1950   -3.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7575    4.1584   -0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8906    3.8396   -1.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6992    2.6775   -0.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7838    3.6578   -0.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600    2.8677   -2.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247    0.7832   -2.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9418    0.0750   -1.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1387   -2.2442   -0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8539   -3.0872   -1.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8352   -1.9275   -2.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5317    0.8752   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1825   -0.8602   -1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7195   -0.0115    0.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8748    0.9373   -0.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8987    2.7009   -1.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0030    1.8763   -3.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8023    3.7042   -2.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3199    2.3032   -3.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9015    2.4859   -1.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9222    4.3774    1.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6942    4.4611    2.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8296    0.4153   -0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0944    0.6135   -1.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1516   -0.0366   -2.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2473   -0.9985   -1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6284   -2.5346   -1.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7876   -3.4301    0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2936   -1.6653    0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9995   -2.6793   -1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
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  5  6  1  0
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  8  9  1  0
  8 10  1  0
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  6 45  1  0
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 58132  1  0
 60133  1  6
 61134  1  0
 61135  1  0
 61136  1  0
M  END
Download

PDB for NP0022063 (Concanamycin A)

HEADER    PROTEIN                                 04-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUL-21         0                                  
HETATM    1  C   UNK     0      -4.078  -6.061   1.150  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.923  -4.629   0.783  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.701  -3.710   1.348  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.591  -2.266   1.020  0.00  0.00           C+0
HETATM    5  O   UNK     0      -3.273  -1.810   1.073  0.00  0.00           O+0
HETATM    6  C   UNK     0      -3.286  -0.444   0.865  0.00  0.00           C+0
HETATM    7  O   UNK     0      -4.314   0.068   1.696  0.00  0.00           O+0
HETATM    8  C   UNK     0      -2.033   0.262   1.293  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.845   0.034   2.769  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.818  -0.130   0.481  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.484  -1.446   0.520  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.304   0.824   0.796  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.018   2.257   0.466  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.674   0.362   0.453  0.00  0.00           C+0
HETATM   15  O   UNK     0       1.963  -0.817   1.186  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.083  -1.026   2.523  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.127  -1.723   3.138  0.00  0.00           O+0
HETATM   18  C   UNK     0       3.102  -0.619   3.474  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.759   0.415   4.411  0.00  0.00           O+0
HETATM   20  C   UNK     0       3.028   1.757   4.225  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.340  -1.077   3.615  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.934  -2.102   2.823  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.105  -3.532   3.385  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.464  -1.903   1.647  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.584  -0.605   0.880  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.013   0.400   1.924  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.711  -0.772  -0.128  0.00  0.00           C+0
HETATM   28  O   UNK     0       6.335  -1.831  -0.983  0.00  0.00           O+0
HETATM   29  C   UNK     0       7.337   0.341  -0.777  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.835  -0.074  -0.988  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.450  -0.350   0.365  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.899   0.853  -2.096  0.00  0.00           C+0
HETATM   33  O   UNK     0       7.769   0.290  -3.071  0.00  0.00           O+0
HETATM   34  C   UNK     0       5.513   0.545  -2.518  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.580  -0.296  -3.835  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.610   1.680  -2.890  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.166   2.612  -1.859  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.187   3.378  -1.083  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.898   2.866  -1.558  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.774   2.281  -2.175  0.00  0.00           C+0
HETATM   41  C   UNK     0       1.312   1.069  -1.954  0.00  0.00           C+0
HETATM   42  C   UNK     0       1.848   0.082  -1.039  0.00  0.00           C+0
HETATM   43  O   UNK     0       1.410  -1.178  -1.342  0.00  0.00           O+0
HETATM   44  C   UNK     0       2.368  -2.082  -1.705  0.00  0.00           C+0
HETATM   45  C   UNK     0      -3.718  -0.153  -0.544  0.00  0.00           C+0
HETATM   46  C   UNK     0      -5.193  -0.539  -0.616  0.00  0.00           C+0
HETATM   47  O   UNK     0      -5.677  -0.204  -1.852  0.00  0.00           O+0
HETATM   48  C   UNK     0      -6.721   0.722  -1.657  0.00  0.00           C+0
HETATM   49  C   UNK     0      -6.521   2.001  -2.407  0.00  0.00           C+0
HETATM   50  C   UNK     0      -7.898   2.594  -2.651  0.00  0.00           C+0
HETATM   51  O   UNK     0      -8.329   2.315  -3.943  0.00  0.00           O+0
HETATM   52  C   UNK     0      -8.900   2.156  -1.616  0.00  0.00           C+0
HETATM   53  O   UNK     0      -8.543   2.768  -0.386  0.00  0.00           O+0
HETATM   54  C   UNK     0      -9.363   3.653   0.264  0.00  0.00           C+0
HETATM   55  N   UNK     0      -8.925   4.218   1.490  0.00  0.00           N+0
HETATM   56  O   UNK     0     -10.468   3.931  -0.247  0.00  0.00           O+0
HETATM   57  C   UNK     0      -8.939   0.676  -1.398  0.00  0.00           C+0
HETATM   58  C   UNK     0     -10.217   0.027  -1.884  0.00  0.00           C+0
HETATM   59  O   UNK     0      -7.886   0.083  -2.118  0.00  0.00           O+0
HETATM   60  C   UNK     0      -5.216  -2.044  -0.344  0.00  0.00           C+0
HETATM   61  C   UNK     0      -6.648  -2.488  -0.270  0.00  0.00           C+0
HETATM   62  H   UNK     0      -4.423  -6.678   0.293  0.00  0.00           H+0
HETATM   63  H   UNK     0      -4.792  -6.203   1.982  0.00  0.00           H+0
HETATM   64  H   UNK     0      -3.096  -6.429   1.534  0.00  0.00           H+0
HETATM   65  H   UNK     0      -3.179  -4.349   0.061  0.00  0.00           H+0
HETATM   66  H   UNK     0      -5.437  -4.084   2.078  0.00  0.00           H+0
HETATM   67  H   UNK     0      -5.242  -1.712   1.740  0.00  0.00           H+0
HETATM   68  H   UNK     0      -4.267   1.063   1.604  0.00  0.00           H+0
HETATM   69  H   UNK     0      -2.194   1.347   1.140  0.00  0.00           H+0
HETATM   70  H   UNK     0      -2.877   0.143   3.223  0.00  0.00           H+0
HETATM   71  H   UNK     0      -1.511  -0.967   3.034  0.00  0.00           H+0
HETATM   72  H   UNK     0      -1.270   0.862   3.234  0.00  0.00           H+0
HETATM   73  H   UNK     0      -1.116   0.100  -0.588  0.00  0.00           H+0
HETATM   74  H   UNK     0      -0.912  -1.983   1.215  0.00  0.00           H+0
HETATM   75  H   UNK     0       0.310   0.823   1.952  0.00  0.00           H+0
HETATM   76  H   UNK     0       0.912   2.846   0.515  0.00  0.00           H+0
HETATM   77  H   UNK     0      -0.537   2.371  -0.497  0.00  0.00           H+0
HETATM   78  H   UNK     0      -0.693   2.716   1.233  0.00  0.00           H+0
HETATM   79  H   UNK     0       2.384   1.143   0.792  0.00  0.00           H+0
HETATM   80  H   UNK     0       4.085   2.006   4.120  0.00  0.00           H+0
HETATM   81  H   UNK     0       2.630   2.294   5.133  0.00  0.00           H+0
HETATM   82  H   UNK     0       2.401   2.117   3.368  0.00  0.00           H+0
HETATM   83  H   UNK     0       4.944  -0.636   4.491  0.00  0.00           H+0
HETATM   84  H   UNK     0       4.262  -4.173   3.088  0.00  0.00           H+0
HETATM   85  H   UNK     0       5.204  -3.543   4.463  0.00  0.00           H+0
HETATM   86  H   UNK     0       6.062  -3.938   2.995  0.00  0.00           H+0
HETATM   87  H   UNK     0       5.884  -2.777   1.106  0.00  0.00           H+0
HETATM   88  H   UNK     0       4.637  -0.293   0.464  0.00  0.00           H+0
HETATM   89  H   UNK     0       5.088   0.975   2.238  0.00  0.00           H+0
HETATM   90  H   UNK     0       6.697   1.144   1.541  0.00  0.00           H+0
HETATM   91  H   UNK     0       6.498  -0.097   2.806  0.00  0.00           H+0
HETATM   92  H   UNK     0       7.507  -1.297   0.516  0.00  0.00           H+0
HETATM   93  H   UNK     0       7.128  -2.212  -1.453  0.00  0.00           H+0
HETATM   94  H   UNK     0       7.458   1.211  -0.112  0.00  0.00           H+0
HETATM   95  H   UNK     0       8.886  -0.963  -1.629  0.00  0.00           H+0
HETATM   96  H   UNK     0       9.343   0.817  -1.405  0.00  0.00           H+0
HETATM   97  H   UNK     0       8.824   0.111   1.152  0.00  0.00           H+0
HETATM   98  H   UNK     0      10.440   0.166   0.444  0.00  0.00           H+0
HETATM   99  H   UNK     0       9.548  -1.439   0.550  0.00  0.00           H+0
HETATM  100  H   UNK     0       7.099   1.929  -2.177  0.00  0.00           H+0
HETATM  101  H   UNK     0       8.527   0.864  -3.272  0.00  0.00           H+0
HETATM  102  H   UNK     0       4.990  -0.135  -1.836  0.00  0.00           H+0
HETATM  103  H   UNK     0       6.433  -0.967  -3.808  0.00  0.00           H+0
HETATM  104  H   UNK     0       5.547   0.393  -4.711  0.00  0.00           H+0
HETATM  105  H   UNK     0       4.650  -0.889  -3.860  0.00  0.00           H+0
HETATM  106  H   UNK     0       3.647   1.189  -3.266  0.00  0.00           H+0
HETATM  107  H   UNK     0       4.963   2.195  -3.824  0.00  0.00           H+0
HETATM  108  H   UNK     0       4.758   4.158  -0.418  0.00  0.00           H+0
HETATM  109  H   UNK     0       5.891   3.840  -1.773  0.00  0.00           H+0
HETATM  110  H   UNK     0       5.699   2.678  -0.414  0.00  0.00           H+0
HETATM  111  H   UNK     0       2.784   3.658  -0.748  0.00  0.00           H+0
HETATM  112  H   UNK     0       1.160   2.868  -2.882  0.00  0.00           H+0
HETATM  113  H   UNK     0       0.425   0.783  -2.535  0.00  0.00           H+0
HETATM  114  H   UNK     0       2.942   0.075  -1.171  0.00  0.00           H+0
HETATM  115  H   UNK     0       3.139  -2.244  -0.892  0.00  0.00           H+0
HETATM  116  H   UNK     0       1.854  -3.087  -1.779  0.00  0.00           H+0
HETATM  117  H   UNK     0       2.835  -1.928  -2.686  0.00  0.00           H+0
HETATM  118  H   UNK     0      -3.532   0.875  -0.858  0.00  0.00           H+0
HETATM  119  H   UNK     0      -3.183  -0.860  -1.230  0.00  0.00           H+0
HETATM  120  H   UNK     0      -5.720  -0.012   0.212  0.00  0.00           H+0
HETATM  121  H   UNK     0      -6.875   0.937  -0.588  0.00  0.00           H+0
HETATM  122  H   UNK     0      -5.899   2.701  -1.802  0.00  0.00           H+0
HETATM  123  H   UNK     0      -6.003   1.876  -3.380  0.00  0.00           H+0
HETATM  124  H   UNK     0      -7.802   3.704  -2.543  0.00  0.00           H+0
HETATM  125  H   UNK     0      -9.320   2.303  -3.916  0.00  0.00           H+0
HETATM  126  H   UNK     0      -9.902   2.486  -1.959  0.00  0.00           H+0
HETATM  127  H   UNK     0      -7.922   4.377   1.693  0.00  0.00           H+0
HETATM  128  H   UNK     0      -9.694   4.461   2.175  0.00  0.00           H+0
HETATM  129  H   UNK     0      -8.830   0.415  -0.304  0.00  0.00           H+0
HETATM  130  H   UNK     0     -11.094   0.614  -1.538  0.00  0.00           H+0
HETATM  131  H   UNK     0     -10.152  -0.037  -2.988  0.00  0.00           H+0
HETATM  132  H   UNK     0     -10.247  -0.999  -1.466  0.00  0.00           H+0
HETATM  133  H   UNK     0      -4.628  -2.535  -1.123  0.00  0.00           H+0
HETATM  134  H   UNK     0      -6.788  -3.430   0.305  0.00  0.00           H+0
HETATM  135  H   UNK     0      -7.294  -1.665   0.125  0.00  0.00           H+0
HETATM  136  H   UNK     0      -7.000  -2.679  -1.304  0.00  0.00           H+0
CONECT    1    2   62   63   64                                             
CONECT    2    1    3   65                                                  
CONECT    3    2    4   66                                                  
CONECT    4    3    5   60   67                                             
CONECT    5    4    6                                                       
CONECT    6    5    7    8   45                                             
CONECT    7    6   68                                                       
CONECT    8    6    9   10   69                                             
CONECT    9    8   70   71   72                                             
CONECT   10    8   11   12   73                                             
CONECT   11   10   74                                                       
CONECT   12   10   13   14   75                                             
CONECT   13   12   76   77   78                                             
CONECT   14   12   15   42   79                                             
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19   80   81   82                                             
CONECT   21   18   22   83                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22   84   85   86                                             
CONECT   24   22   25   87                                                  
CONECT   25   24   26   27   88                                             
CONECT   26   25   89   90   91                                             
CONECT   27   25   28   29   92                                             
CONECT   28   27   93                                                       
CONECT   29   27   30   32   94                                             
CONECT   30   29   31   95   96                                             
CONECT   31   30   97   98   99                                             
CONECT   32   29   33   34  100                                             
CONECT   33   32  101                                                       
CONECT   34   32   35   36  102                                             
CONECT   35   34  103  104  105                                             
CONECT   36   34   37  106  107                                             
CONECT   37   36   38   39                                                  
CONECT   38   37  108  109  110                                             
CONECT   39   37   40  111                                                  
CONECT   40   39   41  112                                                  
CONECT   41   40   42  113                                                  
CONECT   42   41   43   14  114                                             
CONECT   43   42   44                                                       
CONECT   44   43  115  116  117                                             
CONECT   45    6   46  118  119                                             
CONECT   46   45   47   60  120                                             
CONECT   47   46   48                                                       
CONECT   48   47   49   59  121                                             
CONECT   49   48   50  122  123                                             
CONECT   50   49   51   52  124                                             
CONECT   51   50  125                                                       
CONECT   52   50   53   57  126                                             
CONECT   53   52   54                                                       
CONECT   54   53   55   56                                                  
CONECT   55   54  127  128                                                  
CONECT   56   54                                                            
CONECT   57   52   58   59  129                                             
CONECT   58   57  130  131  132                                             
CONECT   59   57   48                                                       
CONECT   60   46   61    4  133                                             
CONECT   61   60  134  135  136                                             
CONECT   62    1                                                            
CONECT   63    1                                                            
CONECT   64    1                                                            
CONECT   65    2                                                            
CONECT   66    3                                                            
CONECT   67    4                                                            
CONECT   68    7                                                            
CONECT   69    8                                                            
CONECT   70    9                                                            
CONECT   71    9                                                            
CONECT   72    9                                                            
CONECT   73   10                                                            
CONECT   74   11                                                            
CONECT   75   12                                                            
CONECT   76   13                                                            
CONECT   77   13                                                            
CONECT   78   13                                                            
CONECT   79   14                                                            
CONECT   80   20                                                            
CONECT   81   20                                                            
CONECT   82   20                                                            
CONECT   83   21                                                            
CONECT   84   23                                                            
CONECT   85   23                                                            
CONECT   86   23                                                            
CONECT   87   24                                                            
CONECT   88   25                                                            
CONECT   89   26                                                            
CONECT   90   26                                                            
CONECT   91   26                                                            
CONECT   92   27                                                            
CONECT   93   28                                                            
CONECT   94   29                                                            
CONECT   95   30                                                            
CONECT   96   30                                                            
CONECT   97   31                                                            
CONECT   98   31                                                            
CONECT   99   31                                                            
CONECT  100   32                                                            
CONECT  101   33                                                            
CONECT  102   34                                                            
CONECT  103   35                                                            
CONECT  104   35                                                            
CONECT  105   35                                                            
CONECT  106   36                                                            
CONECT  107   36                                                            
CONECT  108   38                                                            
CONECT  109   38                                                            
CONECT  110   38                                                            
CONECT  111   39                                                            
CONECT  112   40                                                            
CONECT  113   41                                                            
CONECT  114   42                                                            
CONECT  115   44                                                            
CONECT  116   44                                                            
CONECT  117   44                                                            
CONECT  118   45                                                            
CONECT  119   45                                                            
CONECT  120   46                                                            
CONECT  121   48                                                            
CONECT  122   49                                                            
CONECT  123   49                                                            
CONECT  124   50                                                            
CONECT  125   51                                                            
CONECT  126   52                                                            
CONECT  127   55                                                            
CONECT  128   55                                                            
CONECT  129   57                                                            
CONECT  130   58                                                            
CONECT  131   58                                                            
CONECT  132   58                                                            
CONECT  133   60                                                            
CONECT  134   61                                                            
CONECT  135   61                                                            
CONECT  136   61                                                            
MASTER        0    0    0    0    0    0    0    0  136    0  276    0
END
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3D PDB for NP0022063 (Concanamycin A)

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SMILES for NP0022063 (Concanamycin A)
[H]O[C@]([H])([C@]([H])(C([H])([H])[H])[C@@]1([H])OC(=O)\C(OC([H])([H])[H])=C(\[H])/C(=C([H])\[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])C([H])([H])\C(=C(\[H])/C(/[H])=C([H])\[C@]1([H])OC([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@]1(O[H])O[C@]([H])(C(\[H])=C(/[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)N([H])[H])[C@]([H])(O[H])C2([H])[H])C1([H])[H]
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INCHI for NP0022063 (Concanamycin A)
InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15-,24-17-,25-20-,36-21+/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,46-/m1/s1
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View in JSmolView NMR Assignments
Synonyms
ValueSource
{[(2R,3S,4R,6R)-6-{[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4Z,6Z,9R,10S,11S,12R,13R,14Z,16E)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(1E)-prop-1-en-1-yl]oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}methanimidateGenerator
TAN 1323 bMeSH
TAN-1323 bMeSH
FolimycinMeSH
Chemical FormulaC46H75NO14
Average Mass866.0990 Da
Monoisotopic Mass865.51876 Da
IUPAC Name(2R,3S,4R,6R)-6-{[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4Z,6Z,9R,10S,11S,12R,13R,14Z,16E)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(1E)-prop-1-en-1-yl]oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl carbamate
Traditional Name(2R,3S,4R,6R)-6-{[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4Z,6Z,9R,10S,11S,12R,13R,14Z,16E)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(1E)-prop-1-en-1-yl]oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl carbamate
CAS Registry NumberNot Available
SMILES
CC[C@H]1[C@@H](O)[C@H](C)C\C(C)=C/C=C\[C@H](OC)[C@H](OC(=O)\C(OC)=C/C(/C)=C\[C@@H](C)[C@H]1O)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C
InChI Identifier
InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15-,24-17-,25-20-,36-21+/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,46-/m1/s1
InChI KeyDJZCTUVALDDONK-WHSMHLFWSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
StreptomycesNPAtlas
Species Where Detected
Species NameSourceReference
Streptomyces sp. A1509KNApSAcK Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.
KingdomOrganic compounds  
Super ClassPhenylpropanoids and polyketides  
ClassMacrolides and analogues  
Sub ClassNot Available
Direct ParentMacrolides and analogues  
Alternative Parents
Substituents
  • Macrolide
    • 

  • O-glycosyl compound
    • 

  • Glycosyl compound
    • 

  • Oxane
    • 

  • Monosaccharide
    • 

  • Alpha,beta-unsaturated carboxylic ester
    • 

  • Enoate ester
    • 

  • Secondary alcohol
    • 

  • Lactone
    • 

  • Hemiacetal
    • 

  • Carboxylic acid ester
    • 

  • Oxacycle
    • 

  • Organoheterocyclic compound
    • 

  • Monocarboxylic acid or derivatives
    • 

  • Ether
    • 

  • Dialkyl ether
    • 

  • Carboxylic acid derivative
    • 

  • Carboximidic acid derivative
    • 

  • Acetal
    • 

  • Organic nitrogen compound
    • 

  • Organic oxygen compound
    • 

  • Organopnictogen compound
    • 

  • Organic oxide
    • 

  • Hydrocarbon derivative
    • 

  • Organooxygen compound
    • 

  • Organonitrogen compound
    • 

  • Imine
    • 

  • Carbonyl group
    • 

  • Alcohol
    • 

  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP4.12ALOGPS
logP5.59ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)11.68ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area225.92 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity232.65 m³·mol⁻¹ChemAxon
Polarizability95.32 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
NPAtlas IDNPA014456  
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID44211341  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound137699570  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Chao T, Shih HT, Hsu SC, Chen PJ, Fan YS, Jeng YM, Shen ZQ, Tsai TF, Chang ZF: Autophagy restricts mitochondrial DNA damage-induced release of ENDOG (endonuclease G) to regulate genome stability. Autophagy. 2021 Jan 19:1-17. doi: 10.1080/15548627.2021.1874209. [PubMed:33465003  ] 
  2. Oot RA, Yao Y, Manolson MF, Wilkens S: Purification of active human vacuolar H(+)-ATPase in native lipid-containing nanodiscs. J Biol Chem. 2021 Jul 13;297(2):100964. doi: 10.1016/j.jbc.2021.100964. [PubMed:34270960  ] 
  3. Yu J, Zhou J: Vacuolar accumulation and colocalization is not a proper criterion for cytoplasmic soluble proteins undergoing selective autophagy. Plant Signal Behav. 2021 Oct 3;16(10):1932319. doi: 10.1080/15592324.2021.1932319. Epub 2021 Jun 27. [PubMed:34176421  ] 
  4. Xu Y, Lu H, Zhu S, Li WQ, Jiang YY, Berman J, Yang F: Multifactorial Mechanisms of Tolerance to Ketoconazole in Candida albicans. Microbiol Spectr. 2021 Jun 23:e0032121. doi: 10.1128/Spectrum.00321-21. [PubMed:34160280  ] 
  5. Ibrahim N, Roslee A, Azlan M, Abu-Bakar N: Sub-lethal concentrations of artemisinin alter pH of the digestive vacuole of the malaria parasite, Plasmodium falciparum. Trop Biomed. 2020 Mar 1;37(1):1-14. [PubMed:33612713  ] 
  6. Wu J, Michaeli S, Picchianti L, Dagdas Y, Galili G, Peled-Zehavi H: ATI1 (ATG8-interacting protein 1) and ATI2 define a plant starvation-induced reticulophagy pathway and serve as MSBP1/MAPR5 cargo receptors. Autophagy. 2021 Jan 25:1-14. doi: 10.1080/15548627.2021.1872886. [PubMed:33487099  ] 
  7. Kokabi K, Gorelova O, Zorin B, Didi-Cohen S, Itkin M, Malitsky S, Solovchenko A, Boussiba S, Khozin-Goldberg I: Lipidome Remodeling and Autophagic Respose in the Arachidonic-Acid-Rich Microalga Lobosphaera incisa Under Nitrogen and Phosphorous Deprivation. Front Plant Sci. 2020 Nov 27;11:614846. doi: 10.3389/fpls.2020.614846. eCollection 2020. [PubMed:33329680  ] 
  8. Teper-Bamnolker P, Danieli R, Peled-Zehavi H, Belausov E, Abu-Abied M, Avin-Wittenberg T, Sadot E, Eshel D: Vacuolar processing enzyme translocates to the vacuole through the autophagy pathway to induce programmed cell death. Autophagy. 2020 Dec 19:1-15. doi: 10.1080/15548627.2020.1856492. [PubMed:33249982  ]