NP-MRD: Showing NP-Card for (+)-Gracilamide A (NP0077973)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

1.0

Created at

2022-04-28 23:07:25 UTC

Updated at

2022-04-28 23:07:25 UTC

NP-MRD ID

NP0077973

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-Gracilamide A

Description

(2R)-N-[(2S,3S,4R,6E)-11-[(1S,2S)-2-butylcyclopropyl]-1,3,4-trihydroxyundec-6-en-2-yl]-2-hydroxypentacosanimidic acid belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. (+)-Gracilamide A is found in Gracilaria asiatica . Based on a literature review very few articles have been published on (2R)-N-[(2S,3S,4R,6E)-11-[(1S,2S)-2-butylcyclopropyl]-1,3,4-trihydroxyundec-6-en-2-yl]-2-hydroxypentacosanimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304292201072D          

 49 49  0  0  1  0            999 V2000
    8.1099   -0.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954   -0.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954   -1.3184    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6809   -1.7309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9664   -1.3184    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2520   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -0.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -0.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086    1.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086    1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3941    2.3941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5691    2.3941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8546    1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1401    2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743    1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2888    2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816    3.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664   -0.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6809   -2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -1.7309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8243   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8243   -0.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -1.7309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2533   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9677   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6822   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3967   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1112   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8256   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5401   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2546   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9690   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6835   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3980   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1124   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8269   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5414   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2559   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9703   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6848   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3993   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1137   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8282   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5427   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2572   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9716   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -2.5559    0.0000 O   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  2  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
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 13 19  1  0  0  0  0
  5 20  1  1  0  0  0
  4 21  1  6  0  0  0
  3 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 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  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  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
 36 37  1  0  0  0  0
 37 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
 25 49  1  1  0  0  0
M  END

     RDKit          3D

132132  0  0  0  0  0  0  0  0999 V2000
   13.7109    4.1569    0.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9142    2.6720    0.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7201    1.9578    0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4780    2.4806    1.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2371    1.8006    0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3038    0.3124    0.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3631   -0.0621    2.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4393   -1.5279    2.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3879   -2.3720    1.7735 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9941   -2.3144    2.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2179   -1.0677    2.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7738   -1.3552    2.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1268   -2.3564    1.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1657   -1.8930    0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4359   -0.6116    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9627   -0.7258    0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023   -1.7744   -0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4943   -1.3144   -1.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -2.2539   -2.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068   -1.7356   -4.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4169   -0.4279   -4.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0822   -0.5680   -4.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8181    0.6789   -4.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5666    1.7609   -3.8539 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2756    2.9139   -4.2660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1162    1.2970   -2.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4264    0.5764   -1.8174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4419    1.6776   -2.1286 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0358    1.2722   -0.8843 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9089    2.2652   -0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4555    1.7907    0.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6196   -0.1511   -0.9482 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4486   -0.9445   -1.1833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5685   -0.3661   -2.0517 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0713    0.0748   -3.3016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0074   -0.1555   -1.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7520   -0.9943   -0.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3178   -1.9319   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9312   -2.8009    0.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3230   -2.8293    1.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0353   -1.7555    1.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2114   -0.4145    1.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0532    0.4070    2.3273 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.4121    1.7877    2.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4413    0.7598    1.7425 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.5382    0.3721    2.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9355    0.6001    2.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3112    2.0179    2.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5708    2.6577    0.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2315    4.6149    1.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6730    4.6442    0.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0133    4.2949   -0.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9187    2.4824    2.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8571    2.3539    0.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8731    0.8815    0.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6228    2.1330   -0.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5229    2.3218    2.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3956    3.5534    0.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3802    2.1855    1.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0647    2.0121   -0.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3989   -0.1470    0.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1544   -0.1482    0.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5947    0.4041    2.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3345    0.3512    2.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4466   -1.9022    1.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4518   -1.7306    3.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4224   -2.3378    0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7251   -3.4599    1.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9915   -2.6897    3.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3684   -3.1172    1.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2319   -0.5786    1.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5212   -0.2567    2.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1776   -0.4660    2.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8653   -1.8283    3.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4448   -3.3911    1.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -2.3698    1.9631 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1988   -1.7531   -0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7428   -2.7272   -0.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6045   -0.1062   -0.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    0.1187    0.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967    0.2575    0.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7636   -0.8695    1.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2357   -1.8068   -0.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7007   -2.7822   -0.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -1.3176   -2.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0666   -0.3204   -2.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221   -3.2234   -2.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8147   -2.4527   -2.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6576   -2.4973   -5.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1559   -1.6475   -4.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7456    0.4094   -3.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6811   -0.1720   -5.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3627   -0.9832   -3.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4445   -1.3597   -5.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9274    0.5412   -4.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4673    1.0838   -5.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4748    1.9849   -3.7852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5290    3.4785   -3.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9743    2.2821   -2.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1358    1.1046   -0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7042    2.7000   -0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471    3.1422    0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2388    2.3228    1.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9831   -0.3602    0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7403   -1.8964   -1.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4893   -1.5367   -2.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8541   -0.0258   -3.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1449    0.9226   -1.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5673   -0.1809   -2.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8464   -0.8339   -0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2025   -2.1283   -0.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5994   -3.8745    0.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3342   -2.7640    1.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4351   -3.7423    1.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9927   -3.2518    0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1054   -2.1601    2.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6971   -1.6440    2.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2997    0.1917    1.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7542   -0.4007    0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9847    0.0739    3.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9418    2.3342    1.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6184    2.4589    2.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5807    0.4969    0.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4168   -0.7529    2.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3618    0.7681    3.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6044    0.2003    3.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2441   -0.0445    1.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1859    2.6302    3.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4215    2.1260    1.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2908    3.3842    0.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2541    1.9788    0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7078    3.2282    1.3445 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
 24 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 29 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 38  2  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
 45 43  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
 10 69  1  0
 10 70  1  0
 11 71  1  0
 11 72  1  0
 12 73  1  0
 12 74  1  0
 13 75  1  0
 13 76  1  0
 14 77  1  0
 14 78  1  0
 15 79  1  0
 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  1
 25 98  1  0
 28 99  1  0
 29100  1  1
 30101  1  0
 30102  1  0
 31103  1  0
 32104  1  1
 33105  1  0
 34106  1  6
 35107  1  0
 36108  1  0
 36109  1  0
 37110  1  0
 38111  1  0
 39112  1  0
 39113  1  0
 40114  1  0
 40115  1  0
 41116  1  0
 41117  1  0
 42118  1  0
 42119  1  0
 43120  1  1
 44121  1  0
 44122  1  0
 45123  1  6
 46124  1  0
 46125  1  0
 47126  1  0
 47127  1  0
 48128  1  0
 48129  1  0
 49130  1  0
 49131  1  0
 49132  1  0
M  END


  Mrv1652304292201072D          

 49 49  0  0  1  0            999 V2000
    8.1099   -0.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954   -0.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954   -1.3184    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6809   -1.7309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9664   -1.3184    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2520   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -0.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -0.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086    1.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086    1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3941    2.3941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5691    2.3941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8546    1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1401    2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743    1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2888    2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816    3.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664   -0.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6809   -2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -1.7309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8243   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8243   -0.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -1.7309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2533   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9677   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6822   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3967   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1112   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8256   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5401   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2546   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9690   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6835   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3980   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1124   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8269   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5414   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2559   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9703   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6848   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3993   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1137   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8282   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5427   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2572   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9716   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -2.5559    0.0000 O   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  2  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
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 13 19  1  0  0  0  0
  5 20  1  1  0  0  0
  4 21  1  6  0  0  0
  3 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 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  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  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
 36 37  1  0  0  0  0
 37 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
 25 49  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0077973

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)C\C=C\CCCC[C@H]1C[C@@H]1CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C43H83NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-34-41(47)43(49)44-39(36-45)42(48)40(46)33-29-27-24-25-28-32-38-35-37(38)31-6-4-2/h27,29,37-42,45-48H,3-26,28,30-36H2,1-2H3,(H,44,49)/b29-27+/t37-,38-,39-,40+,41+,42-/m0/s1

> <INCHI_KEY>
MFPIKADAVWYTIK-HOHZATDLSA-N

> <FORMULA>
C43H83NO5

> <MOLECULAR_WEIGHT>
694.139

> <EXACT_MASS>
693.627124777

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
132

> <JCHEM_AVERAGE_POLARIZABILITY>
92.67098858632963

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-N-[(2S,3S,4R,6E)-11-[(1S,2S)-2-butylcyclopropyl]-1,3,4-trihydroxyundec-6-en-2-yl]-2-hydroxypentacosanamide

> <ALOGPS_LOGP>
9.53

> <JCHEM_LOGP>
11.985771101000001

> <ALOGPS_LOGS>
-6.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.406706712365835

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.678407840884518

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7917329070384254

> <JCHEM_POLAR_SURFACE_AREA>
110.02

> <JCHEM_REFRACTIVITY>
208.28539999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
37

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.56e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-N-[(2S,3S,4R,6E)-11-[(1S,2S)-2-butylcyclopropyl]-1,3,4-trihydroxyundec-6-en-2-yl]-2-hydroxypentacosanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  O   UNK     0      15.138  -0.151   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      13.805  -0.921   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.805  -2.461   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.471  -3.231   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.137  -2.461   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.804  -3.231   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.470  -2.461   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.470  -0.921   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.136  -0.151   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.136   1.389   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.803   2.159   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.803   3.699   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.469   4.469   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.929   4.469   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.595   3.699   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.262   4.469   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.072   3.699   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.406   4.469   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.699   5.803   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      11.137  -0.921   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      12.471  -4.771   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0      15.138  -3.231   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      16.472  -2.461   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      16.472  -0.921   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      17.806  -3.231   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      19.139  -2.461   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      20.473  -3.231   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      21.807  -2.461   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      23.140  -3.231   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      24.474  -2.461   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      25.808  -3.231   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      27.142  -2.461   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      28.475  -3.231   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      29.809  -2.461   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      31.143  -3.231   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      32.476  -2.461   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      33.810  -3.231   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      35.144  -2.461   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      36.477  -3.231   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      37.811  -2.461   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      39.145  -3.231   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      40.478  -2.461   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      41.812  -3.231   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      43.146  -2.461   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      44.479  -3.231   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      45.813  -2.461   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      47.147  -3.231   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      48.480  -2.461   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      17.806  -4.771   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   22                                                  
CONECT    4    3    5   21                                                  
CONECT    5    4    6   20                                                  
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   19                                                  
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   14   13                                                       
CONECT   20    5                                                            
CONECT   21    4                                                            
CONECT   22    3   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   49                                                  
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                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   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                                                            
CONECT   49   25                                                            
MASTER        0    0    0    0    0    0    0    0   49    0   98    0
END

View in JSmol

Synonyms

Value	Source
(2R)-N-[(2S,3S,4R,6E)-11-[(1S,2S)-2-Butylcyclopropyl]-1,3,4-trihydroxyundec-6-en-2-yl]-2-hydroxypentacosanimidate	Generator

Chemical Formula

C₄₃H₈₃NO₅

Average Mass

694.1390 Da

Monoisotopic Mass

693.62712 Da

IUPAC Name

(2R)-N-[(2S,3S,4R,6E)-11-[(1S,2S)-2-butylcyclopropyl]-1,3,4-trihydroxyundec-6-en-2-yl]-2-hydroxypentacosanamide

Traditional Name

(2R)-N-[(2S,3S,4R,6E)-11-[(1S,2S)-2-butylcyclopropyl]-1,3,4-trihydroxyundec-6-en-2-yl]-2-hydroxypentacosanamide

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)C\C=C\CCCC[C@H]1C[C@@H]1CCCC

InChI Identifier

InChI=1S/C43H83NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-34-41(47)43(49)44-39(36-45)42(48)40(46)33-29-27-24-25-28-32-38-35-37(38)31-6-4-2/h27,29,37-42,45-48H,3-26,28,30-36H2,1-2H3,(H,44,49)/b29-27+/t37-,38-,39-,40+,41+,42-/m0/s1

InChI Key

MFPIKADAVWYTIK-HOHZATDLSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Gracilaria asiatica	--	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty amides

Direct Parent

N-acyl amines

Alternative Parents

Substituents

Monosaccharide
N-acyl-amine
1,2-diol
Carboxamide group
Secondary alcohol
Secondary carboxylic acid amide
Polyol
Carboxylic acid derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic 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	9.53	ALOGPS
logP	11.99	ChemAxon
logS	-7	ALOGPS
pKa (Strongest Acidic)	12.68	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	110.02 Å²	ChemAxon
Rotatable Bond Count	37	ChemAxon
Refractivity	208.29 m³·mol⁻¹	ChemAxon
Polarizability	92.67 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

17250211

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16091637

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (+)-Gracilamide A (NP0077973)

MOL for NP0077973 ((+)-Gracilamide A)

3D MOL for NP0077973 ((+)-Gracilamide A)

3D SDF for NP0077973 ((+)-Gracilamide A)

3D-SDF for NP0077973 ((+)-Gracilamide A)

PDB for NP0077973 ((+)-Gracilamide A)

3D PDB for NP0077973 ((+)-Gracilamide A)

SMILES for NP0077973 ((+)-Gracilamide A)

INCHI for NP0077973 ((+)-Gracilamide A)

Structure for NP0077973 ((+)-Gracilamide A)

3D Structure for NP0077973 ((+)-Gracilamide A)