NP-MRD: Showing NP-Card for n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid (NP0288384)

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Record Information

Version

2.0

Created at

2022-09-09 18:03:49 UTC

Updated at

2022-09-09 18:03:49 UTC

NP-MRD ID

NP0288384

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid

Description

Vicibactin belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid is found in Rhizobium etli and Rhizobium leguminosarum. n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid was first documented in 2003 (PMID: 12829293). Based on a literature review a small amount of articles have been published on Vicibactin (PMID: 26575143) (PMID: 23361163) (PMID: 19778043) (PMID: 15583159).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092220032D          

 54 54  0  0  1  0            999 V2000
    5.5428    5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7190    5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3445    5.8908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2696    4.4639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    3.7287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0934    4.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9173    4.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2918    3.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424    2.9504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0185    2.9936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2169    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0408    2.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7675    1.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1420    0.7883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9659    0.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6926    0.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671   -0.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8910   -0.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6177   -1.3305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4416   -1.3738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8161   -2.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6399   -2.1521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9922   -2.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5428   -2.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9173   -3.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -4.1845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -4.9196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -4.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0185   -4.8764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1947   -4.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3708   -4.7899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9214   -5.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -4.0548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4457   -3.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2696   -3.4061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0712   -2.6278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2474   -2.5845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7980   -3.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9741   -3.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725   -4.0115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5206   -1.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1461   -1.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5955   -0.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210    0.2262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3972    0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6704    0.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4943    0.8748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2959    1.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7453    2.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5692    2.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3708    3.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8202    3.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4457    4.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  2  0  0  0  0
 21 22  1  4  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  6  0  0  0
 38 39  2  0  0  0  0
 39 40  1  4  0  0  0
 39 41  1  0  0  0  0
 37 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  6  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
  5 53  1  0  0  0  0
 53 54  2  0  0  0  0
M  END

     RDKit          3D

108108  0  0  0  0  0  0  0  0999 V2000
   -7.4727   -4.6802   -0.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2849   -4.3631   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1348   -5.0672    1.0662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4603   -3.4640   -0.5299 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2738   -3.0876    0.2162 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5435   -4.3571    0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449   -4.1888    0.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4574   -4.0519   -0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6627   -5.2004   -1.2032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2633   -6.1271   -2.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6669   -5.4246   -0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0598   -6.6136   -0.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7004   -4.3665   -0.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7656   -4.7623    0.3543 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0157   -5.1660   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9281   -3.8281    1.3666 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1077   -2.4916    1.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3697   -1.6752    1.9196 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2522   -1.9276    0.5224 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4763   -2.1637    1.2178 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5329   -2.6642    0.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7295   -3.1399   -0.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6331   -2.8019    1.6841 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1052   -0.4130    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5872    0.0863   -0.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6159    1.1803   -0.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1742    2.0931    0.3593 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0856    2.4193    1.3025 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8765    2.6193    0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3341    2.8227    1.5388 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3671    8.2405    1.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165    8.1359   -0.0057 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6626    3.6691    0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6045    3.0135   -0.3598 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5330    3.8165   -0.9467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6227    1.6420   -0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9024    1.2992   -1.8438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3481    0.5515    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6410   -0.1872    0.5915 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3923   -0.5262   -0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4927   -1.2594    1.4595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6160   -2.2992    1.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6616   -2.4512   -0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3693   -5.6959    0.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -5.1739    0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8869   -6.2197   -0.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2315   -4.5761   -1.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2092   -2.2950   -0.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6721   -2.7496   -1.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9307   -2.8885   -1.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5918    8.2549    0.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4634    5.3275    1.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3129    5.7196   -0.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8433    4.5265   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9529    2.9551    0.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2660    4.2047    1.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8679    4.5091   -0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0658    1.0390    1.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5461   -0.0998   -0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2957    0.5668    1.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7394   -0.8542   -1.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9727    0.3840   -1.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1784   -1.2602   -0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
 51 50  1  0
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 31 29  1  0
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 29 27  1  0
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 27 26  1  0
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 24 19  1  0
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 21 22  1  0
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 19 17  1  0
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 17 16  1  0
 16 14  1  0
 14 15  1  0
 14 13  1  0
 13 11  1  0
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 11  9  1  0
  9 10  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
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  4  2  2  0
  2  1  1  0
  2  3  1  0
  5 53  1  0
 53 54  2  0
 53 52  1  0
 52 50  1  0
 51106  1  0
 51107  1  0
 51108  1  0
 50105  1  1
 49103  1  0
 49104  1  0
 46102  1  0
 44100  1  0
 44101  1  0
 43 98  1  0
 43 99  1  0
 42 96  1  0
 42 97  1  0
 37 91  1  6
 40 92  1  0
 40 93  1  0
 40 94  1  0
 41 95  1  0
 32 87  1  1
 33 88  1  0
 33 89  1  0
 33 90  1  0
 31 85  1  0
 31 86  1  0
 28 84  1  0
 26 82  1  0
 26 83  1  0
 25 80  1  0
 25 81  1  0
 24 78  1  0
 24 79  1  0
 19 73  1  6
 22 74  1  0
 22 75  1  0
 22 76  1  0
 23 77  1  0
 14 69  1  1
 15 70  1  0
 15 71  1  0
 15 72  1  0
 13 67  1  0
 13 68  1  0
 10 66  1  0
  8 64  1  0
  8 65  1  0
  7 62  1  0
  7 63  1  0
  6 60  1  0
  6 61  1  0
  5 59  1  6
  1 55  1  0
  1 56  1  0
  1 57  1  0
  3 58  1  0
M  END


  Mrv1652309092220032D          

 54 54  0  0  1  0            999 V2000
    5.5428    5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7190    5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3445    5.8908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2696    4.4639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    3.7287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0934    4.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9173    4.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2918    3.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424    2.9504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0185    2.9936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2169    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0408    2.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7675    1.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1420    0.7883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9659    0.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6926    0.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671   -0.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8910   -0.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6177   -1.3305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4416   -1.3738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8161   -2.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6399   -2.1521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9922   -2.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5428   -2.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9173   -3.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -4.1845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -4.9196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -4.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0185   -4.8764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1947   -4.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3708   -4.7899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9214   -5.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -4.0548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4457   -3.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2696   -3.4061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0712   -2.6278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2474   -2.5845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7980   -3.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9741   -3.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725   -4.0115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5206   -1.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1461   -1.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5955   -0.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210    0.2262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3972    0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6704    0.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4943    0.8748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2959    1.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7453    2.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5692    2.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3708    3.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8202    3.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4457    4.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  2  0  0  0  0
 21 22  1  4  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  6  0  0  0
 38 39  2  0  0  0  0
 39 40  1  4  0  0  0
 39 41  1  0  0  0  0
 37 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  6  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
  5 53  1  0  0  0  0
 53 54  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0288384

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1CC(=O)N(O)CCC[C@@H](N=C(C)O)C(=O)O[C@H](C)CC(=O)N(O)CCC[C@@H](N=C(C)O)C(=O)O[C@H](C)CC(=O)N(O)CCC[C@@H](N=C(C)O)C(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C33H54N6O15/c1-19-16-28(43)37(49)13-8-11-26(35-23(5)41)32(47)53-21(3)18-30(45)39(51)15-9-12-27(36-24(6)42)33(48)54-20(2)17-29(44)38(50)14-7-10-25(31(46)52-19)34-22(4)40/h19-21,25-27,49-51H,7-18H2,1-6H3,(H,34,40)(H,35,41)(H,36,42)/t19-,20-,21-,25-,26-,27-/m1/s1

> <INCHI_KEY>
NEZSNYPOAQRZDV-ZXXBMJRBSA-N

> <FORMULA>
C33H54N6O15

> <MOLECULAR_WEIGHT>
774.822

> <EXACT_MASS>
774.364715063

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
108

> <JCHEM_AVERAGE_POLARIZABILITY>
79.10487081445787

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2R,9R,12R,19R,22R,29R)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid

> <JCHEM_LOGP>
-0.6007626680000018

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
5.6481608396600755

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.171912678729361

> <JCHEM_PKA_STRONGEST_BASIC>
1.6104513060610783

> <JCHEM_POLAR_SURFACE_AREA>
298.29

> <JCHEM_REFRACTIVITY>
185.13180000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2R,9R,12R,19R,22R,29R)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      10.347   9.543   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.809   9.624   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       8.110  10.996   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0       7.970   8.333   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       8.669   6.960   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.508   8.252   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.046   8.171   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.745   6.799   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      10.906   5.507   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       9.368   5.588   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      11.605   4.135   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      13.143   4.054   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      10.766   2.844   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.465   1.472   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.003   1.391   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      10.626   0.180   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      11.325  -1.192   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      12.863  -1.273   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      10.486  -2.484   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      12.024  -2.564   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      12.723  -3.937   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      11.884  -5.228   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      14.261  -4.017   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      11.185  -3.856   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.347  -5.147   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.046  -6.520   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      10.207  -7.811   0.000  0.00  0.00           N+0
HETATM   28  O   UNK     0      10.906  -9.183   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       8.669  -7.730   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       9.368  -9.103   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       7.830  -9.022   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.292  -8.941   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.453 -10.233   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       5.593  -7.569   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.432  -6.277   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       7.970  -6.358   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       5.733  -4.905   0.000  0.00  0.00           C+0
HETATM   38  N   UNK     0       4.195  -4.824   0.000  0.00  0.00           N+0
HETATM   39  C   UNK     0       3.356  -6.116   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.818  -6.035   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       4.055  -7.488   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       6.572  -3.614   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       5.873  -2.242   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       6.712  -0.950   0.000  0.00  0.00           C+0
HETATM   45  N   UNK     0       6.013   0.422   0.000  0.00  0.00           N+0
HETATM   46  O   UNK     0       4.475   0.503   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       6.851   1.714   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       8.389   1.633   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       6.152   3.086   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       6.991   4.377   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       8.529   4.297   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0       6.292   5.750   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0       7.131   7.041   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0       6.432   8.413   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   53                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   19   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   42                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   37   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50                                                       
CONECT   50   49   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50   53                                                       
CONECT   53   52    5   54                                                  
CONECT   54   53                                                            
MASTER        0    0    0    0    0    0    0    0   54    0  108    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₅₄N₆O₁₅

Average Mass

774.8220 Da

Monoisotopic Mass

774.36472 Da

IUPAC Name

N-[(2R,9R,12R,19R,22R,29R)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid

Traditional Name

N-[(2R,9R,12R,19R,22R,29R)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid

CAS Registry Number

Not Available

SMILES

C[C@@H]1CC(=O)N(O)CCC[C@@H](N=C(C)O)C(=O)O[C@H](C)CC(=O)N(O)CCC[C@@H](N=C(C)O)C(=O)O[C@H](C)CC(=O)N(O)CCC[C@@H](N=C(C)O)C(=O)O1

InChI Identifier

InChI=1S/C33H54N6O15/c1-19-16-28(43)37(49)13-8-11-26(35-23(5)41)32(47)53-21(3)18-30(45)39(51)15-9-12-27(36-24(6)42)33(48)54-20(2)17-29(44)38(50)14-7-10-25(31(46)52-19)34-22(4)40/h19-21,25-27,49-51H,7-18H2,1-6H3,(H,34,40)(H,35,41)(H,36,42)/t19-,20-,21-,25-,26-,27-/m1/s1

InChI Key

NEZSNYPOAQRZDV-ZXXBMJRBSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Rhizobium etli	LOTUS Database	35616633
Rhizobium leguminosarum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolactams

Sub Class

Not Available

Direct Parent

Macrolactams

Alternative Parents

Substituents

Alpha-amino acid ester
Macrolactam
Macrolide
N-acyl-alpha amino acid or derivatives
Alpha-amino acid or derivatives
Tricarboxylic acid or derivatives
Acetamide
Carboxamide group
Carboxylic acid ester
Hydroxamic acid
Lactone
Secondary carboxylic acid amide
Oxacycle
Carboxylic acid derivative
Polyol
Azacycle
Organoheterocyclic compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-0.6	ChemAxon
pKa (Strongest Acidic)	5.17	ChemAxon
pKa (Strongest Basic)	1.61	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	298.29 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	185.13 m³·mol⁻¹	ChemAxon
Polarizability	79.1 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

59650540

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101941096

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zheng D, Burr TJ: Inhibition of Grape Crown Gall by Agrobacterium vitis F2/5 Requires Two Nonribosomal Peptide Synthetases and One Polyketide Synthase. Mol Plant Microbe Interact. 2016 Feb;29(2):109-18. doi: 10.1094/MPMI-07-15-0153-R. Epub 2016 Jan 15. [PubMed:26575143 ]
Wright W, Little J, Liu F, Chakraborty R: Isolation and structural identification of the trihydroxamate siderophore vicibactin and its degradative products from Rhizobium leguminosarum ATCC 14479 bv. trifolii. Biometals. 2013 Apr;26(2):271-83. doi: 10.1007/s10534-013-9609-3. Epub 2013 Jan 30. [PubMed:23361163 ]
Heemstra JR Jr, Walsh CT, Sattely ES: Enzymatic tailoring of ornithine in the biosynthesis of the Rhizobium cyclic trihydroxamate siderophore vicibactin. J Am Chem Soc. 2009 Oct 28;131(42):15317-29. doi: 10.1021/ja9056008. [PubMed:19778043 ]
Yeoman KH, Curson AR, Todd JD, Sawers G, Johnston AW: Evidence that the Rhizobium regulatory protein RirA binds to cis-acting iron-responsive operators (IROs) at promoters of some Fe-regulated genes. Microbiology (Reading). 2004 Dec;150(Pt 12):4065-74. doi: 10.1099/mic.0.27419-0. [PubMed:15583159 ]
Yeoman KH, Mitelheiser S, Sawers G, Johnston AW: The ECF sigma factor RpoI of R. leguminosarum initiates transcription of the vbsGSO and vbsADL siderophore biosynthetic genes in vitro. FEMS Microbiol Lett. 2003 Jun 27;223(2):239-44. doi: 10.1016/S0378-1097(03)00386-0. [PubMed:12829293 ]
LOTUS database [Link]

Showing NP-Card for n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid (NP0288384)

MOL for NP0288384 (n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid)

3D MOL for NP0288384 (n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid)

3D SDF for NP0288384 (n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid)

3D-SDF for NP0288384 (n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid)

PDB for NP0288384 (n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid)

3D PDB for NP0288384 (n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid)

SMILES for NP0288384 (n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid)

INCHI for NP0288384 (n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid)

Structure for NP0288384 (n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid)

3D Structure for NP0288384 (n-[(2r,9r,12r,19r,22r,29r)-5,15,25-trihydroxy-19,29-bis[(1-hydroxyethylidene)amino]-2,12,22-trimethyl-4,10,14,20,24,30-hexaoxo-1,11,21-trioxa-5,15,25-triazacyclotriacontan-9-yl]ethanimidic acid)