NP-MRD: Showing NP-Card for (2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid (NP0247829)

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Record Information

Version

2.0

Created at

2022-09-07 09:48:56 UTC

Updated at

2022-09-07 09:48:56 UTC

NP-MRD ID

NP0247829

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid

Description

Linearmycin B belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. (2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid was first documented in 2017 (PMID: 28919037). Based on a literature review a small amount of articles have been published on Linearmycin B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072211482D          

 83 82  0  0  0  0            999 V2000
  -15.7697    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7697    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0552    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3407    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6262    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9118    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1973    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4828    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7684    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0539    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3394    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6249    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9105    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1960    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4815    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7671    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7671    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0526    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0526    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3381    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3381    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6237    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6237    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9092    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1947    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6632    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6671    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0960    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8105    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8105    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5249    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2394    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9539    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6684    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6684    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3828    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0973    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8118    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5262    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5262    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2407    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9552    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9552    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6697    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3841    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0986    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8131    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4841    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4841    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1986    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  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  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
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 42 43  1  0  0  0  0
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 44 45  1  0  0  0  0
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 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
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 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
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 55 56  1  0  0  0  0
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  2 81  1  0  0  0  0
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 81 83  1  0  0  0  0
M  END

     RDKit          3D

186185  0  0  0  0  0  0  0  0999 V2000
    5.3755    4.4564   -1.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4475    3.3091   -0.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4828    3.1354    0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3654    4.0339    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3533    3.9081    1.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166    4.8888    0.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    4.8711    1.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7610    5.9162    1.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9084    6.0622    2.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7261    7.1942    1.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9012    7.5378    2.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5778    8.8101    1.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7648    9.3368    0.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0104    8.6231   -0.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838    7.7557   -1.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6554    7.1261   -2.5561 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8473    6.3707   -2.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4603    7.0742   -3.4665 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8842    7.6569   -4.7342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1453    5.6459   -3.8603 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.8002    5.0999   -3.7495 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.8533   -3.5479   -3.5952 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9159   -4.8859   -3.6771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4757   -2.8999   -3.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -3.7544   -2.9597 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1778   -4.3617   -1.7269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6841   -2.7809   -2.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309072211482D          

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    3.5211    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6671    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0960    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8105    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8105    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5249    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2394    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9539    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6684    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6684    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3828    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0973    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8118    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5262    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5262    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2407    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9552    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9552    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6697    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3841    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0986    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8131    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4841    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4841    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1986    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  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  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 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  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 59 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 62 64  1  0  0  0  0
 64 65  2  0  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 67 69  1  0  0  0  0
 69 70  2  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 72 73  1  0  0  0  0
 72 74  1  0  0  0  0
 74 75  1  0  0  0  0
 75 76  1  0  0  0  0
 75 77  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  1  0  0  0  0
 79 80  1  0  0  0  0
  2 81  1  0  0  0  0
 81 82  2  0  0  0  0
 81 83  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0247829

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(\C=C\CC\C=C\C=C\C=C\C=C\C=C(/C)C(O)=O)C(O)C(C)C(O)\C=C\C=C\C=C\C=C\C=C\CC(O)C(C)C(=O)CC(O)CC(O)CC(O)\C=C\CC(O)CC(O)CC(O)CC(O)\C=C\CC(O)\C=C\CC(O)CC(O)CCCN

> <INCHI_IDENTIFIER>
InChI=1S/C66H103NO16/c1-48(29-21-17-13-9-6-5-7-10-14-18-22-30-49(2)66(82)83)65(81)51(4)63(79)39-24-20-16-12-8-11-15-19-23-38-62(78)50(3)64(80)47-61(77)46-60(76)44-56(72)36-27-35-55(71)43-59(75)45-58(74)42-54(70)34-26-32-52(68)31-25-33-53(69)41-57(73)37-28-40-67/h5-12,14-16,18-27,29-31,34,36,39,48,50-63,65,68-79,81H,13,17,28,32-33,35,37-38,40-47,67H2,1-4H3,(H,82,83)/b7-5+,9-6+,12-8+,14-10+,15-11+,20-16+,22-18+,23-19+,29-21+,31-25+,34-26+,36-27+,39-24+,49-30+

> <INCHI_KEY>
DHFLEVLIHWJIAE-OTPULODUSA-N

> <FORMULA>
C66H103NO16

> <MOLECULAR_WEIGHT>
1166.541

> <EXACT_MASS>
1165.727686241

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
186

> <JCHEM_AVERAGE_POLARIZABILITY>
138.27723710525763

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
15

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E,4E,6E,8E,10E,14E,20E,22E,24E,26E,28E,40E,50E,54E)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid

> <JCHEM_LOGP>
1.1940729087678659

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.926962643876397

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.589770771790402

> <JCHEM_PKA_STRONGEST_BASIC>
9.902607001939106

> <JCHEM_POLAR_SURFACE_AREA>
343.38

> <JCHEM_REFRACTIVITY>
346.86019999999974

> <JCHEM_ROTATABLE_BOND_COUNT>
47

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2E,4E,6E,8E,10E,14E,20E,22E,24E,26E,28E,40E,50E,54E)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0     -29.437   7.645   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -29.437   6.105   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -28.103   5.335   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -26.769   6.105   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -25.436   5.335   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -24.102   6.105   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -22.768   5.335   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -21.435   6.105   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -20.101   5.335   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -18.767   6.105   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -17.434   5.335   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -16.100   6.105   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -14.766   5.335   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -13.433   6.105   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -12.099   5.335   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -10.765   6.105   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -10.765   7.645   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -9.432   5.335   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -9.432   3.795   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -8.098   6.105   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -8.098   7.645   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.764   5.335   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -6.764   3.795   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -5.430   6.105   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.097   5.335   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.763   6.105   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.429   5.335   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.096   6.105   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.238   5.335   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.572   6.105   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.905   5.335   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.239   6.105   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.573   5.335   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.906   6.105   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.240   5.335   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       9.240   3.795   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      10.574   6.105   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      10.574   7.645   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      11.907   5.335   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      11.907   3.795   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      13.241   6.105   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      14.575   5.335   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      14.575   3.795   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      15.908   6.105   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      17.242   5.335   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      17.242   3.795   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      18.576   6.105   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      19.909   5.335   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      19.909   3.795   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      21.243   6.105   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      22.577   5.335   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      23.910   6.105   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      25.244   5.335   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      25.244   3.795   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      26.578   6.105   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      27.912   5.335   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0      27.912   3.795   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0      29.245   6.105   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      30.579   5.335   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      30.579   3.795   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0      31.913   6.105   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      33.246   5.335   0.000  0.00  0.00           C+0
HETATM   63  O   UNK     0      33.246   3.795   0.000  0.00  0.00           O+0
HETATM   64  C   UNK     0      34.580   6.105   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      35.914   5.335   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      37.247   6.105   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      38.581   5.335   0.000  0.00  0.00           C+0
HETATM   68  O   UNK     0      38.581   3.795   0.000  0.00  0.00           O+0
HETATM   69  C   UNK     0      39.915   6.105   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      41.248   5.335   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      42.582   6.105   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      43.916   5.335   0.000  0.00  0.00           C+0
HETATM   73  O   UNK     0      43.916   3.795   0.000  0.00  0.00           O+0
HETATM   74  C   UNK     0      45.249   6.105   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      46.583   5.335   0.000  0.00  0.00           C+0
HETATM   76  O   UNK     0      46.583   3.795   0.000  0.00  0.00           O+0
HETATM   77  C   UNK     0      47.917   6.105   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0      49.250   5.335   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0      50.584   6.105   0.000  0.00  0.00           C+0
HETATM   80  N   UNK     0      51.918   5.335   0.000  0.00  0.00           N+0
HETATM   81  C   UNK     0     -30.770   5.335   0.000  0.00  0.00           C+0
HETATM   82  O   UNK     0     -30.770   3.795   0.000  0.00  0.00           O+0
HETATM   83  O   UNK     0     -32.104   6.105   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   81                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48                                                       
CONECT   48   47   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56                                                       
CONECT   56   55   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56   59                                                       
CONECT   59   58   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59   62                                                       
CONECT   62   61   63   64                                                  
CONECT   63   62                                                            
CONECT   64   62   65                                                       
CONECT   65   64   66                                                       
CONECT   66   65   67                                                       
CONECT   67   66   68   69                                                  
CONECT   68   67                                                            
CONECT   69   67   70                                                       
CONECT   70   69   71                                                       
CONECT   71   70   72                                                       
CONECT   72   71   73   74                                                  
CONECT   73   72                                                            
CONECT   74   72   75                                                       
CONECT   75   74   76   77                                                  
CONECT   76   75                                                            
CONECT   77   75   78                                                       
CONECT   78   77   79                                                       
CONECT   79   78   80                                                       
CONECT   80   79                                                            
CONECT   81    2   82   83                                                  
CONECT   82   81                                                            
CONECT   83   81                                                            
MASTER        0    0    0    0    0    0    0    0   83    0  164    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₆₆H₁₀₃NO₁₆

Average Mass

1166.5410 Da

Monoisotopic Mass

1165.72769 Da

IUPAC Name

(2E,4E,6E,8E,10E,14E,20E,22E,24E,26E,28E,40E,50E,54E)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(\C=C\CC\C=C\C=C\C=C\C=C\C=C(/C)C(O)=O)C(O)C(C)C(O)\C=C\C=C\C=C\C=C\C=C\CC(O)C(C)C(=O)CC(O)CC(O)CC(O)\C=C\CC(O)CC(O)CC(O)CC(O)\C=C\CC(O)\C=C\CC(O)CC(O)CCCN

InChI Identifier

InChI=1S/C66H103NO16/c1-48(29-21-17-13-9-6-5-7-10-14-18-22-30-49(2)66(82)83)65(81)51(4)63(79)39-24-20-16-12-8-11-15-19-23-38-62(78)50(3)64(80)47-61(77)46-60(76)44-56(72)36-27-35-55(71)43-59(75)45-58(74)42-54(70)34-26-32-52(68)31-25-33-53(69)41-57(73)37-28-40-67/h5-12,14-16,18-27,29-31,34,36,39,48,50-63,65,68-79,81H,13,17,28,32-33,35,37-38,40-47,67H2,1-4H3,(H,82,83)/b7-5+,9-6+,12-8+,14-10+,15-11+,20-16+,22-18+,23-19+,29-21+,31-25+,34-26+,36-27+,39-24+,49-30+

InChI Key

DHFLEVLIHWJIAE-OTPULODUSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Very long-chain fatty acids

Alternative Parents

Substituents

Very long-chain fatty acid
Amino fatty acid
Branched fatty acid
Hydroxy fatty acid
Methyl-branched fatty acid
Beta-hydroxy ketone
Unsaturated fatty acid
Amino acid
Secondary alcohol
Amino acid or derivatives
Ketone
Polyol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organic oxygen compound
Alcohol
Organic nitrogen compound
Primary amine
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	1.19	ChemAxon
pKa (Strongest Acidic)	4.59	ChemAxon
pKa (Strongest Basic)	9.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	15	ChemAxon
Polar Surface Area	343.38 Å²	ChemAxon
Rotatable Bond Count	47	ChemAxon
Refractivity	346.86 m³·mol⁻¹	ChemAxon
Polarizability	138.28 Å³	ChemAxon
Number of Rings	0	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

8504374

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10328913

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Hoefler BC, Stubbendieck RM, Josyula NK, Moisan SM, Schulze EM, Straight PD: A Link between Linearmycin Biosynthesis and Extracellular Vesicle Genesis Connects Specialized Metabolism and Bacterial Membrane Physiology. Cell Chem Biol. 2017 Oct 19;24(10):1238-1249.e7. doi: 10.1016/j.chembiol.2017.08.008. Epub 2017 Sep 14. [PubMed:28919037 ]
LOTUS database [Link]

Showing NP-Card for (2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid (NP0247829)

MOL for NP0247829 ((2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid)

3D MOL for NP0247829 ((2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid)

3D SDF for NP0247829 ((2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid)

3D-SDF for NP0247829 ((2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid)

PDB for NP0247829 ((2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid)

3D PDB for NP0247829 ((2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid)

SMILES for NP0247829 ((2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid)

INCHI for NP0247829 ((2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid)

Structure for NP0247829 ((2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid)

3D Structure for NP0247829 ((2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid)