NP-MRD: Showing NP-Card for n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid (NP0234325)

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Record Information

Version

2.0

Created at

2022-09-06 16:17:48 UTC

Updated at

2022-09-06 16:17:48 UTC

NP-MRD ID

NP0234325

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid

Description

Cer(t16:0/28:0) Belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid is found in Zephyranthes candida. Based on a literature review very few articles have been published on Cer(t16:0/28:0).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062218172D          

 49 48  0  0  1  0            999 V2000
   13.4211    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1355    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5645    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9934    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7079    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4224    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1368    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8513    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5658    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2802    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9947    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7092    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1381    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2815    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9960    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7105    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4249    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1394    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8539    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5684    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2828    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9973    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7118    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7118    9.8112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4262    8.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1407    8.9862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   34.1407    9.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8552   10.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.8552    8.5737    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   34.8552    7.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.5697    8.9862    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   35.5697    9.8112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.2841    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9986    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7131    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4275    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1420    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8565    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5710    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2854    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9999    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7144    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4288    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1433    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  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
 10 11  1  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  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  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  0  0  0  0
 22 23  1  0  0  0  0
 23 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
 28 29  1  4  0  0  0
 28 30  2  0  0  0  0
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  1  0  0  0
 34 36  1  0  0  0  0
 36 37  1  6  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 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
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
M  END

     RDKit          3D

138137  0  0  0  0  0  0  0  0999 V2000
   18.9039    1.6791   -0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8672    0.6148    0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4966    1.3604    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3112    2.0761   -1.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1798    2.9725   -1.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8110    2.4095   -1.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3895    2.0573    0.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0469    1.5310    0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5128    0.2899   -0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2778    0.1169   -1.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6368   -1.1899   -1.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2548   -1.5411   -1.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701   -1.4067   -0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9707   -0.0817    0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9876    0.4932   -0.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488   -0.4538   -1.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0719   -0.7378    0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0189   -1.7409   -0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9706   -1.4065   -1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0240   -0.2992   -0.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2842   -0.6270    0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5969   -1.9468    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4367   -2.1073   -0.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9154   -3.5362   -0.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5316   -3.9474    0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8116   -3.2048    0.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3376   -3.6894    2.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6730   -3.0823    2.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0730   -3.1612    3.8888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3379   -2.5523    1.6472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6226   -1.9209    1.7220 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0251   -1.7306    3.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2908   -1.1300    3.3066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5710   -0.7043    0.8598 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6293    0.1865    1.3151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8591   -0.0120    0.5577 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.3165    0.6733    1.6440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8781   -0.9537   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1706   -0.2305   -0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9870    0.8665   -1.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1413    1.6458   -1.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9840    2.4262   -0.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7466    1.7682    0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7087    0.7117   -0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7551    1.1881   -1.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6247    2.2558   -0.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3306    1.7326    0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2169    2.8053    1.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2401    3.2115    0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8857    1.4038    0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1406    1.8053   -1.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5404    2.6629    0.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7777   -0.0912   -0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0162    0.1488    1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5137    1.9025    1.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7800    0.4784    0.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2999    2.6113   -1.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3313    1.2495   -1.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2899    3.9449   -0.7278 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2038    3.3595   -2.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8246    1.4870   -1.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0467    3.1276   -1.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1720    1.6031    0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3576    3.1275    0.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9817    1.4054    1.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3219    2.4014    0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6941   -0.0855    0.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3088   -0.5687    0.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1891    0.1492   -2.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5462    0.9102   -1.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8815   -1.4711   -2.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2751   -2.0278   -1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6718   -1.0234   -2.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1344   -2.6650   -1.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0826   -1.8009    0.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5972   -2.1504   -0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7246    0.6903    0.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4777   -0.1753    1.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6287    1.4543   -0.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5387    0.6055   -1.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1699   -1.3923   -1.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1383    0.0584   -1.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6866    0.1942    0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7472   -1.2023    0.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310   -2.1538    0.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5788   -2.6349   -0.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3833   -2.3289   -1.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4327   -1.1317   -2.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3259   -0.1563   -1.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5444    0.6533   -0.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558    0.1700    0.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.6505    1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0536   -2.0670    1.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2808   -2.8091    0.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3432   -1.4774   -0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0981   -1.8556   -1.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0047   -4.1927   -0.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6160   -3.6450   -1.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7791   -3.8462    1.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7916   -5.0411    0.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5842   -3.3522    0.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6012   -2.1175    0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4372   -4.7907    2.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5756   -3.4311    2.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4904   -3.0785    4.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3498   -2.6829    1.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2804   -1.2253    3.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2170   -2.7801    3.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5126   -1.1782    4.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1731   -1.0172   -0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8409    1.1015    1.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6075    0.7406   -0.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4884    1.6259    1.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5027   -1.4526   -0.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1136   -1.7259    0.7626 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8569   -1.0078   -0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5433    0.0539    0.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5103    0.4065   -2.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1765    1.6000   -0.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7214    2.3701   -2.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7659    0.9646   -2.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4412    3.2967   -0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7630    2.9806   -1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4451    2.5919    0.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2390    1.4197    1.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1777    0.2457    0.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1205   -0.1567   -0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3938    0.2868   -1.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3575    1.4929   -2.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0482    3.1812   -0.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3857    2.6188   -1.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9513    0.8776    0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5842    1.3777    1.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5491    3.6411    1.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6642    2.3778    2.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1393    3.5642    0.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4320    2.3818   -0.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8353    4.0664   -0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
  1 50  1  0
  1 51  1  0
  1 52  1  0
  2 53  1  0
  2 54  1  0
  3 55  1  0
  3 56  1  0
  4 57  1  0
  4 58  1  0
  5 59  1  0
  5 60  1  0
  6 61  1  0
  6 62  1  0
  7 63  1  0
  7 64  1  0
  8 65  1  0
  8 66  1  0
  9 67  1  0
  9 68  1  0
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 10 70  1  0
 11 71  1  0
 11 72  1  0
 12 73  1  0
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 14 77  1  0
 14 78  1  0
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 15 80  1  0
 16 81  1  0
 16 82  1  0
 17 83  1  0
 17 84  1  0
 18 85  1  0
 18 86  1  0
 19 87  1  0
 19 88  1  0
 20 89  1  0
 20 90  1  0
 21 91  1  0
 21 92  1  0
 22 93  1  0
 22 94  1  0
 23 95  1  0
 23 96  1  0
 24 97  1  0
 24 98  1  0
 25 99  1  0
 25100  1  0
 26101  1  0
 26102  1  0
 27103  1  0
 27104  1  0
 29105  1  0
 31106  1  6
 32107  1  0
 32108  1  0
 33109  1  0
 34110  1  6
 35111  1  0
 36112  1  6
 37113  1  0
 38114  1  0
 38115  1  0
 39116  1  0
 39117  1  0
 40118  1  0
 40119  1  0
 41120  1  0
 41121  1  0
 42122  1  0
 42123  1  0
 43124  1  0
 43125  1  0
 44126  1  0
 44127  1  0
 45128  1  0
 45129  1  0
 46130  1  0
 46131  1  0
 47132  1  0
 47133  1  0
 48134  1  0
 48135  1  0
 49136  1  0
 49137  1  0
 49138  1  0
M  END


  Mrv1652309062218172D          

 49 48  0  0  1  0            999 V2000
   13.4211    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1355    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5645    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9934    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7079    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4224    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1368    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8513    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5658    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2802    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9947    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7092    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1381    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2815    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9960    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7105    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4249    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1394    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8539    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5684    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2828    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9973    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7118    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7118    9.8112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4262    8.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1407    8.9862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   34.1407    9.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8552   10.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.8552    8.5737    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   34.8552    7.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.5697    8.9862    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   35.5697    9.8112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.2841    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9986    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7131    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4275    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1420    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8565    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5710    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2854    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9999    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7144    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4288    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1433    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  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
 10 11  1  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  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  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  0  0  0  0
 22 23  1  0  0  0  0
 23 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
 28 29  1  4  0  0  0
 28 30  2  0  0  0  0
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  1  0  0  0
 34 36  1  0  0  0  0
 36 37  1  6  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 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
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0234325

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1

> <INCHI_KEY>
YWABMDXMHRHYPK-KZRDWULCSA-N

> <FORMULA>
C44H89NO4

> <MOLECULAR_WEIGHT>
696.199

> <EXACT_MASS>
695.67916035

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
138

> <JCHEM_AVERAGE_POLARIZABILITY>
95.74545535852121

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2S,3S,4R)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid

> <JCHEM_LOGP>
15.261756510333335

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.447358522928397

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.090449998537554

> <JCHEM_PKA_STRONGEST_BASIC>
3.03413668353801

> <JCHEM_POLAR_SURFACE_AREA>
93.28000000000002

> <JCHEM_REFRACTIVITY>
212.7063

> <JCHEM_ROTATABLE_BOND_COUNT>
41

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2S,3S,4R)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      25.053  16.004   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      26.386  16.774   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      27.720  16.004   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      29.054  16.774   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      30.387  16.004   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      31.721  16.774   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      33.055  16.004   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      34.388  16.774   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      35.722  16.004   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      37.056  16.774   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      38.389  16.004   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      39.723  16.774   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      41.057  16.004   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      42.390  16.774   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      43.724  16.004   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      45.058  16.774   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      46.392  16.004   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      47.725  16.774   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      49.059  16.004   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      50.393  16.774   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      51.726  16.004   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      53.060  16.774   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      54.394  16.004   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      55.727  16.774   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      57.061  16.004   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      58.395  16.774   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      59.728  16.004   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      61.062  16.774   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      61.062  18.314   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0      62.396  16.004   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      63.729  16.774   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      63.729  18.314   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      65.063  19.084   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      65.063  16.004   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      65.063  14.464   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      66.397  16.774   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      66.397  18.314   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      67.730  16.004   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      69.064  16.774   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      70.398  16.004   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      71.731  16.774   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      73.065  16.004   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      74.399  16.774   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      75.732  16.004   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      77.066  16.774   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      78.400  16.004   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      79.733  16.774   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      81.067  16.004   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      82.401  16.774   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
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                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48                                                            
MASTER        0    0    0    0    0    0    0    0   49    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₄H₈₉NO₄

Average Mass

696.1990 Da

Monoisotopic Mass

695.67916 Da

IUPAC Name

N-[(2S,3S,4R)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid

Traditional Name

N-[(2S,3S,4R)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCC

InChI Identifier

InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1

InChI Key

YWABMDXMHRHYPK-KZRDWULCSA-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
Zephyranthes candida	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

Secondary alcohols

Alternative Parents

Substituents

Secondary alcohol
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Carboximidic acid derivative
Carboximidic acid
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Primary alcohol
Organonitrogen compound
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	15.26	ChemAxon
pKa (Strongest Acidic)	6.09	ChemAxon
pKa (Strongest Basic)	3.03	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	93.28 Å²	ChemAxon
Rotatable Bond Count	41	ChemAxon
Refractivity	212.71 m³·mol⁻¹	ChemAxon
Polarizability	95.75 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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

129881913

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid (NP0234325)

MOL for NP0234325 (n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid)

3D MOL for NP0234325 (n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid)

3D SDF for NP0234325 (n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid)

3D-SDF for NP0234325 (n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid)

PDB for NP0234325 (n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid)

3D PDB for NP0234325 (n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid)

SMILES for NP0234325 (n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid)

INCHI for NP0234325 (n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid)

Structure for NP0234325 (n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid)

3D Structure for NP0234325 (n-[(2s,3s,4r)-1,3,4-trihydroxyhexadecan-2-yl]octacosanimidic acid)