NP-MRD: Showing NP-Card for (2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid (NP0270179)

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Record Information

Version

2.0

Created at

2022-09-08 15:55:54 UTC

Updated at

2022-09-08 15:55:55 UTC

NP-MRD ID

NP0270179

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid

Description

Monensin B belongs to the class of organic compounds known as heterocyclic fatty acids. These are fatty acids containing a heterocyclic attached to the acyl chain. (2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid is found in Streptomyces cinnamonensis. Based on a literature review very few articles have been published on Monensin B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082217552D          

 46 50  0  0  1  0            999 V2000
    4.9820   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445   -1.0164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1570   -1.7309    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7445   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3945   -2.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3945   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195   -1.0164    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5070   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6820   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8205    0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    1.6320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9252    1.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390    2.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0320    2.9595    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2869    3.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217    3.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8932    4.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7137    4.1883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1262    4.9028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7137    5.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1262    6.3317    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3509    6.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2694    7.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    7.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9512    6.3317    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3637    7.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3637    5.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9512    4.9028    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3637    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0492    3.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4362    2.8826    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5224    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3805    2.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    1.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9195    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7445    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  6  0  0  0
 11  9  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  1  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  1  0  0  0
 30 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  6  0  0  0
 25 37  1  0  0  0  0
 37 38  1  0  0  0  0
 23 38  1  0  0  0  0
 38 39  1  6  0  0  0
 21 40  1  0  0  0  0
 18 40  1  1  0  0  0
 16 41  1  0  0  0  0
 13 41  1  6  0  0  0
 13 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  6  0  0  0
 43 45  1  0  0  0  0
 11 45  1  0  0  0  0
 45 46  1  1  0  0  0
M  END

     RDKit          3D

106110  0  0  0  0  0  0  0  0999 V2000
   -8.6724   -0.3099   -1.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3874    0.0294   -0.4837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4974    1.1447   -0.5004 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.3897    2.2228    0.0990 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.6392    2.4389   -0.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8206    3.4849    0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9120    4.4690   -0.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1654    3.7588    1.6648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3181    0.9252    0.3440 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3433    2.0788    0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5286   -0.3266    0.1698 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4798   -0.2081    1.1037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4240   -1.0419    0.8228 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8012   -1.4180    2.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -1.6116    1.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2283   -0.6403    0.6231 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7121    0.6704    1.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2044   -1.1905   -0.3222 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0547   -0.3613   -1.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5029   -0.0167   -1.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0228   -1.0633   -0.4624 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5065   -2.2220   -1.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1854   -0.4275    0.2414 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2123   -0.1706   -0.6427 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901   -0.5718   -0.0814 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4987    0.4717   -0.2832 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6304   -0.0534    0.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6308    0.9287    0.1756 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0580    2.2041    0.3750 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7103    0.7745    1.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1023    0.9100    2.4631 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1222    0.8029   -1.2380 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2612    1.7399   -1.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0204    1.0347   -2.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.6720   -1.7512 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7185    1.8165   -2.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1942   -0.8974    1.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6996   -1.1556    1.4281 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4992   -2.6378    1.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4570   -0.4100    0.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8453   -2.2904    0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1939   -2.6989    0.6252 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5405   -3.9078    0.0248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2581   -1.6167    0.3326 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2245   -1.6903    1.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1402    0.4723   -2.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6948   -0.5385   -2.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2264   -1.2854   -1.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3014    1.4207   -1.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8699    1.7532    1.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2964    1.5801   -0.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3937    2.7523   -1.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1917    3.3030   -0.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2400    4.6899    2.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6881    1.0151    1.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9489    2.4517    1.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6852    2.9051   -0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4053    1.7177   -0.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0581   -0.3066   -0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -2.3082    2.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8389   -0.5288    2.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6150    1.2046    1.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040    1.2857    0.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    0.4325    2.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0867   -0.9964   -2.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6087    0.5213   -1.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9965   -0.1438   -2.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7156    1.0106   -1.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469   -3.2048   -0.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8726    0.5988    0.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3956    1.6338    1.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2170   -0.2009    1.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9618    1.8658    2.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5376   -0.2404   -1.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1905    1.4656   -1.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4788    1.6414   -2.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1001   -2.8793    1.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6089   -4.6494    0.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4737   -0.7624    1.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8810   -2.3868    2.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1995   -2.1673    1.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 13 12  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 41  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  6
 21 40  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 37  1  0
 37 38  1  0
 38 39  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  6
 28 30  1  0
 30 31  1  0
 28 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 13 42  1  0
 42 43  1  0
 43 44  1  0
 43 45  1  0
 45 46  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  8  1  0
  6  7  2  0
 45 11  1  0
 41 13  1  0
 40 18  1  0
 38 23  1  0
 35 26  1  0
  1 47  1  0
  1 48  1  0
  1 49  1  0
  3 50  1  6
  9 56  1  1
 10 57  1  0
 10 58  1  0
 10 59  1  0
 11 60  1  6
 14 61  1  0
 14 62  1  0
 15 63  1  0
 15 64  1  0
 17 65  1  0
 17 66  1  0
 17 67  1  0
 18 68  1  6
 19 69  1  0
 19 70  1  0
 20 71  1  0
 20 72  1  0
 22 73  1  0
 22 74  1  0
 22 75  1  0
 23 76  1  1
 25 77  1  6
 37 93  1  0
 37 94  1  0
 38 95  1  1
 39 96  1  0
 39 97  1  0
 39 98  1  0
 26 78  1  1
 29 79  1  0
 30 80  1  0
 30 81  1  0
 31 82  1  0
 32 83  1  1
 33 84  1  0
 33 85  1  0
 33 86  1  0
 34 87  1  0
 34 88  1  0
 35 89  1  6
 36 90  1  0
 36 91  1  0
 36 92  1  0
 42 99  1  0
 42100  1  0
 43101  1  1
 44102  1  0
 45103  1  6
 46104  1  0
 46105  1  0
 46106  1  0
  4 51  1  1
  5 52  1  0
  5 53  1  0
  5 54  1  0
  8 55  1  0
M  END


  Mrv1652309082217552D          

 46 50  0  0  1  0            999 V2000
    4.9820   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445   -1.0164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1570   -1.7309    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7445   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3945   -2.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3945   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195   -1.0164    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5070   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6820   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8205    0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    1.6320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9252    1.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390    2.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0320    2.9595    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2869    3.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217    3.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8932    4.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7137    4.1883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1262    4.9028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7137    5.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1262    6.3317    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3509    6.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2694    7.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    7.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9512    6.3317    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3637    7.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3637    5.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9512    4.9028    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3637    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0492    3.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4362    2.8826    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5224    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3805    2.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    1.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9195    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7445    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  6  0  0  0
 11  9  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  1  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  1  0  0  0
 30 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  6  0  0  0
 25 37  1  0  0  0  0
 37 38  1  0  0  0  0
 23 38  1  0  0  0  0
 38 39  1  6  0  0  0
 21 40  1  0  0  0  0
 18 40  1  1  0  0  0
 16 41  1  0  0  0  0
 13 41  1  6  0  0  0
 13 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  6  0  0  0
 43 45  1  0  0  0  0
 11 45  1  0  0  0  0
 45 46  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0270179

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@H]([C@H](C)[C@H]1O[C@@]2(CC[C@](C)(O2)[C@H]2CC[C@](C)(O2)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@@](O)(CO)[C@H](C)C[C@@H]2C)C[C@H](O)[C@H]1C)[C@H](C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C35H60O11/c1-18-14-20(3)35(40,17-36)45-27(18)25-15-19(2)30(42-25)33(8)11-10-26(43-33)32(7)12-13-34(46-32)16-24(37)21(4)29(44-34)22(5)28(41-9)23(6)31(38)39/h18-30,36-37,40H,10-17H2,1-9H3,(H,38,39)/t18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28+,29-,30+,32-,33-,34+,35-/m0/s1

> <INCHI_KEY>
ZXLUKLZKZXJEFX-WALYMESLSA-N

> <FORMULA>
C35H60O11

> <MOLECULAR_WEIGHT>
656.854

> <EXACT_MASS>
656.413562752

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
106

> <JCHEM_AVERAGE_POLARIZABILITY>
72.24239186420519

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-9-hydroxy-2-[(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolane]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid

> <JCHEM_LOGP>
4.293744813666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.10724831331562

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.236159763558431

> <JCHEM_PKA_STRONGEST_BASIC>
-2.928957471028718

> <JCHEM_POLAR_SURFACE_AREA>
153.37

> <JCHEM_REFRACTIVITY>
167.85580000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-9-hydroxy-2-[(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolane]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       9.300  -0.564   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       7.760  -0.564   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.990  -1.897   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.760  -3.231   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.990  -4.565   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.300  -3.231   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      10.070  -4.565   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      10.070  -1.897   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.450  -1.897   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.680  -3.231   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.680  -0.564   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       3.140  -0.564   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.370   0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.465  -0.476   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.000   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.532   1.379   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.320   3.046   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.727   3.673   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.566   5.204   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.060   5.524   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.536   6.989   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.347   6.151   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       1.667   7.657   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       3.199   7.818   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.969   9.152   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       3.199  10.486   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       3.969  11.819   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.522  12.346   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.236  13.336   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       3.057  14.326   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.509  11.819   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.279  13.153   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.279  10.486   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.509   9.152   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.279   7.818   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       3.825   6.411   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.681   5.381   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.842   3.849   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       0.710   4.191   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       1.465   2.016   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       3.140   2.104   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       4.680   2.104   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       5.450   3.437   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       5.450   0.770   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       6.990   0.770   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    3   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   45                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   41   42                                             
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18   41                                             
CONECT   17   16                                                            
CONECT   18   16   19   40                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23   40                                             
CONECT   22   21                                                            
CONECT   23   21   24   38                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   37                                                  
CONECT   26   25   27   35                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30   32                                             
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30                                                            
CONECT   32   28   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   26   36                                                  
CONECT   36   35                                                            
CONECT   37   25   38                                                       
CONECT   38   37   23   39                                                  
CONECT   39   38                                                            
CONECT   40   21   18                                                       
CONECT   41   16   13                                                       
CONECT   42   13   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   11   46                                                  
CONECT   46   45                                                            
MASTER        0    0    0    0    0    0    0    0   46    0  100    0
END

View in JSmol

Synonyms

Value	Source
16-Deethyl-16-methylmonensin	MeSH

Chemical Formula

C₃₅H₆₀O₁₁

Average Mass

656.8540 Da

Monoisotopic Mass

656.41356 Da

IUPAC Name

(2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-9-hydroxy-2-[(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolane]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

CO[C@H]([C@H](C)[C@H]1O[C@@]2(CC[C@](C)(O2)[C@H]2CC[C@](C)(O2)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@@](O)(CO)[C@H](C)C[C@@H]2C)C[C@H](O)[C@H]1C)[C@H](C)C(O)=O

InChI Identifier

InChI=1S/C35H60O11/c1-18-14-20(3)35(40,17-36)45-27(18)25-15-19(2)30(42-25)33(8)11-10-26(43-33)32(7)12-13-34(46-32)16-24(37)21(4)29(44-34)22(5)28(41-9)23(6)31(38)39/h18-30,36-37,40H,10-17H2,1-9H3,(H,38,39)/t18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28+,29-,30+,32-,33-,34+,35-/m0/s1

InChI Key

ZXLUKLZKZXJEFX-WALYMESLSA-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
Streptomyces cinnamonensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as heterocyclic fatty acids. These are fatty acids containing a heterocyclic attached to the acyl chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Heterocyclic fatty acids

Alternative Parents

Substituents

Branched fatty acid
Ketal
Heterocyclic fatty acid
Hydroxy fatty acid
Methyl-branched fatty acid
Oxane
Oxolane
Hemiacetal
Secondary alcohol
Acetal
Carboxylic acid derivative
Carboxylic acid
Dialkyl ether
Ether
Oxacycle
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Carbonyl group
Organic oxide
Hydrocarbon derivative
Alcohol
Organooxygen compound
Organic oxygen compound
Primary alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	4.29	ChemAxon
pKa (Strongest Acidic)	4.24	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	153.37 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	167.86 m³·mol⁻¹	ChemAxon
Polarizability	72.24 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

59718433

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101324725

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid (NP0270179)

MOL for NP0270179 ((2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid)

3D MOL for NP0270179 ((2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid)

3D SDF for NP0270179 ((2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid)

3D-SDF for NP0270179 ((2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid)

PDB for NP0270179 ((2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid)

3D PDB for NP0270179 ((2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid)

SMILES for NP0270179 ((2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid)

INCHI for NP0270179 ((2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid)

Structure for NP0270179 ((2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid)

3D Structure for NP0270179 ((2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid)