NP-MRD: Showing NP-Card for (3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene (NP0008935)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2020-12-09 06:25:22 UTC

Updated at

2021-07-15 17:01:50 UTC

NP-MRD ID

NP0008935

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene

Provided By

NPAtlas

Description

3Z,6z,9z,12z,15z,19z,22z,25z,28z-hentriacontanonaene belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. Thus, 3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z-hentriacontanonaene is considered to be a hydrocarbon. (3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene is found in Shewanella. Based on a literature review very few articles have been published on 3z,6z,9z,12z,15z,19z,22z,25z,28z-hentriacontanonaene.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307012120303D          

 77 76  0  0  0  0            999 V2000
   -8.9815   -4.4038    0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0370   -3.2333    0.9368 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.1317   -2.2190   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4800   -0.9551    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8231   -0.3912    1.3380 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.0964    0.6777    1.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0298    1.2678    1.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2584    1.0021    0.3316 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.2318    2.1711   -0.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172    2.7310   -0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    2.3255   -0.5169 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0186    1.9760   -1.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767    0.8222   -2.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5430   -0.3285   -1.1826 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3601   -0.9205   -0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1325   -0.5358   -0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457    0.6120   -1.4055 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1750    1.4264   -0.2891 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8017    2.6112   -0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0709    2.8872   -0.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    1.9854   -0.2098 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0670    1.5024   -1.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3606    1.7386   -1.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9717    2.4825    0.0697 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8904    1.8758    0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3035    0.6715    1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9136   -0.4802    0.2944 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3317   -1.4710    1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8281   -2.6475    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9966   -3.1404    0.7170 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1422   -3.4766    1.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8717   -4.0259    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5281   -5.1867    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2625   -4.9003    1.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0044   -3.7122    0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0268   -2.8758    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8941   -2.5157   -1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5321   -0.3188   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0513   -1.2274    2.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9119    0.0265    1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5380    1.0336    2.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6430    2.0837    2.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1751    0.8651    0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4194    0.0539   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2205    2.5599   -0.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1746    3.6032   -1.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6313    1.6893    0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2422    3.3138   -0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9029    2.7827   -2.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9642    0.6749   -3.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1135   -1.1586   -1.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3346   -0.1027   -0.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5308   -1.8494   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6291   -1.1662   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    0.2639   -2.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1822    1.3204   -1.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7104    0.8017    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815    1.8128    0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1162    3.3412   -1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415    3.7975   -1.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331    2.5548    0.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5844    1.1151    0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.9162   -2.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0044    1.3390   -1.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5972    3.3230   -0.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2280    3.1607    0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3243    2.5989    1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0426    0.4183    1.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7698   -0.8746   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1025   -0.3472   -0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4578   -1.0686    1.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3246   -3.2958    2.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3276   -2.5968   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6462   -4.1513    0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7807   -2.5902    1.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976   -3.7639    2.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7460   -4.2853    1.2262 H   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  2  0  0  0  0
  4  5  1  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  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  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  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  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  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 63  1  0  0  0  0
 23 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 68  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 28 71  1  0  0  0  0
 29 72  1  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
 31 77  1  0  0  0  0
M  END

     RDKit          3D

 77 76  0  0  0  0  0  0  0  0999 V2000
   -8.9815   -4.4038    0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0370   -3.2333    0.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1317   -2.2190   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4800   -0.9551    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8231   -0.3912    1.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0964    0.6777    1.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0298    1.2678    1.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2584    1.0021    0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2318    2.1711   -0.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172    2.7310   -0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    2.3255   -0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0186    1.9760   -1.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767    0.8222   -2.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5430   -0.3285   -1.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -0.9205   -0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1325   -0.5358   -0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457    0.6120   -1.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    1.4264   -0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8017    2.6112   -0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0709    2.8872   -0.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    1.9854   -0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0670    1.5024   -1.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3606    1.7386   -1.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9717    2.4825    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8904    1.8758    0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3035    0.6715    1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9136   -0.4802    0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3317   -1.4710    1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8281   -2.6475    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9966   -3.1404    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1422   -3.4766    1.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8717   -4.0259    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5281   -5.1867    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2625   -4.9003    1.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0044   -3.7122    0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0268   -2.8758    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8941   -2.5157   -1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5321   -0.3188   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0513   -1.2274    2.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9119    0.0265    1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5380    1.0336    2.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6430    2.0837    2.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1751    0.8651    0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4194    0.0539   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2205    2.5599   -0.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1746    3.6032   -1.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6313    1.6893    0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2422    3.3138   -0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9029    2.7827   -2.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9642    0.6749   -3.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1135   -1.1586   -1.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3346   -0.1027   -0.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5308   -1.8494   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6291   -1.1662   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    0.2639   -2.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1822    1.3204   -1.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7104    0.8017    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815    1.8128    0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1162    3.3412   -1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415    3.7975   -1.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331    2.5548    0.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5844    1.1151    0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.9162   -2.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0044    1.3390   -1.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5972    3.3230   -0.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2280    3.1607    0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3243    2.5989    1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0426    0.4183    1.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7698   -0.8746   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1025   -0.3472   -0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4578   -1.0686    1.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3246   -3.2958    2.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3276   -2.5968   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6462   -4.1513    0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7807   -2.5902    1.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976   -3.7639    2.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7460   -4.2853    1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  2 35  1  0
  2 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  6 41  1  0
  7 42  1  0
  8 43  1  0
  8 44  1  0
  9 45  1  0
 10 46  1  0
 11 47  1  0
 11 48  1  0
 12 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 16 54  1  0
 17 55  1  0
 17 56  1  0
 18 57  1  0
 18 58  1  0
 19 59  1  0
 20 60  1  0
 21 61  1  0
 21 62  1  0
 22 63  1  0
 23 64  1  0
 24 65  1  0
 24 66  1  0
 25 67  1  0
 26 68  1  0
 27 69  1  0
 27 70  1  0
 28 71  1  0
 29 72  1  0
 30 73  1  0
 30 74  1  0
 31 75  1  0
 31 76  1  0
 31 77  1  0
M  END


  Mrv1652307012120303D          

 77 76  0  0  0  0            999 V2000
   -8.9815   -4.4038    0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0370   -3.2333    0.9368 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.1317   -2.2190   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4800   -0.9551    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8231   -0.3912    1.3380 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.0964    0.6777    1.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0298    1.2678    1.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2584    1.0021    0.3316 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.2318    2.1711   -0.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172    2.7310   -0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    2.3255   -0.5169 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0186    1.9760   -1.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767    0.8222   -2.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5430   -0.3285   -1.1826 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3601   -0.9205   -0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1325   -0.5358   -0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457    0.6120   -1.4055 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1750    1.4264   -0.2891 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8017    2.6112   -0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0709    2.8872   -0.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    1.9854   -0.2098 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0670    1.5024   -1.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3606    1.7386   -1.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9717    2.4825    0.0697 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8904    1.8758    0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3035    0.6715    1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9136   -0.4802    0.2944 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3317   -1.4710    1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8281   -2.6475    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9966   -3.1404    0.7170 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1422   -3.4766    1.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8717   -4.0259    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5281   -5.1867    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2625   -4.9003    1.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0044   -3.7122    0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0268   -2.8758    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8941   -2.5157   -1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5321   -0.3188   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0513   -1.2274    2.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9119    0.0265    1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5380    1.0336    2.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6430    2.0837    2.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1751    0.8651    0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4194    0.0539   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2205    2.5599   -0.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1746    3.6032   -1.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6313    1.6893    0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2422    3.3138   -0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9029    2.7827   -2.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9642    0.6749   -3.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1135   -1.1586   -1.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3346   -0.1027   -0.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5308   -1.8494   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6291   -1.1662   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    0.2639   -2.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1822    1.3204   -1.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7104    0.8017    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815    1.8128    0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1162    3.3412   -1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415    3.7975   -1.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331    2.5548    0.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5844    1.1151    0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.9162   -2.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0044    1.3390   -1.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5972    3.3230   -0.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2280    3.1607    0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3243    2.5989    1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0426    0.4183    1.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7698   -0.8746   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1025   -0.3472   -0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4578   -1.0686    1.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3246   -3.2958    2.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3276   -2.5968   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6462   -4.1513    0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7807   -2.5902    1.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976   -3.7639    2.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7460   -4.2853    1.2262 H   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  2  0  0  0  0
  4  5  1  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  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  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  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  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  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 63  1  0  0  0  0
 23 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 68  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 28 71  1  0  0  0  0
 29 72  1  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
 31 77  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0008935

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C31H46/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31H,3-4,9-10,15-16,21-22,27-28,30H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-

> <INCHI_KEY>
QBQCAYTWEQRERN-VHUCEKMMSA-N

> <FORMULA>
C31H46

> <MOLECULAR_WEIGHT>
418.709

> <EXACT_MASS>
418.359951481

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
55.76007590255558

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene

> <ALOGPS_LOGP>
8.36

> <JCHEM_LOGP>
10.988059607666667

> <ALOGPS_LOGS>
-7.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
154.48260000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.29e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 77 76  0  0  0  0  0  0  0  0999 V2000
   -8.9815   -4.4038    0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0370   -3.2333    0.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1317   -2.2190   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4800   -0.9551    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8231   -0.3912    1.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0964    0.6777    1.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0298    1.2678    1.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2584    1.0021    0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2318    2.1711   -0.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172    2.7310   -0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    2.3255   -0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0186    1.9760   -1.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767    0.8222   -2.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5430   -0.3285   -1.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -0.9205   -0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1325   -0.5358   -0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457    0.6120   -1.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    1.4264   -0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8017    2.6112   -0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0709    2.8872   -0.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    1.9854   -0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0670    1.5024   -1.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3606    1.7386   -1.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9717    2.4825    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8904    1.8758    0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3035    0.6715    1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9136   -0.4802    0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3317   -1.4710    1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8281   -2.6475    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9966   -3.1404    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1422   -3.4766    1.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8717   -4.0259    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5281   -5.1867    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2625   -4.9003    1.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0044   -3.7122    0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0268   -2.8758    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8941   -2.5157   -1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5321   -0.3188   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0513   -1.2274    2.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9119    0.0265    1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5380    1.0336    2.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6430    2.0837    2.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1751    0.8651    0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4194    0.0539   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2205    2.5599   -0.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1746    3.6032   -1.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6313    1.6893    0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2422    3.3138   -0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9029    2.7827   -2.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9642    0.6749   -3.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1135   -1.1586   -1.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3346   -0.1027   -0.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5308   -1.8494   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6291   -1.1662   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    0.2639   -2.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1822    1.3204   -1.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7104    0.8017    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815    1.8128    0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1162    3.3412   -1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415    3.7975   -1.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331    2.5548    0.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5844    1.1151    0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.9162   -2.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0044    1.3390   -1.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5972    3.3230   -0.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2280    3.1607    0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3243    2.5989    1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0426    0.4183    1.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7698   -0.8746   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1025   -0.3472   -0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4578   -1.0686    1.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3246   -3.2958    2.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3276   -2.5968   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6462   -4.1513    0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7807   -2.5902    1.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976   -3.7639    2.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7460   -4.2853    1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  2 35  1  0
  2 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  6 41  1  0
  7 42  1  0
  8 43  1  0
  8 44  1  0
  9 45  1  0
 10 46  1  0
 11 47  1  0
 11 48  1  0
 12 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 16 54  1  0
 17 55  1  0
 17 56  1  0
 18 57  1  0
 18 58  1  0
 19 59  1  0
 20 60  1  0
 21 61  1  0
 21 62  1  0
 22 63  1  0
 23 64  1  0
 24 65  1  0
 24 66  1  0
 25 67  1  0
 26 68  1  0
 27 69  1  0
 27 70  1  0
 28 71  1  0
 29 72  1  0
 30 73  1  0
 30 74  1  0
 31 75  1  0
 31 76  1  0
 31 77  1  0
M  END

HEADER    PROTEIN                                 01-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-JUL-21         0                                  
HETATM    1  C   UNK     0      -8.982  -4.404   0.703  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.037  -3.233   0.937  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.132  -2.219  -0.113  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.480  -0.955   0.063  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.823  -0.391   1.338  0.00  0.00           C+0
HETATM    6  C   UNK     0      -8.096   0.678   1.969  0.00  0.00           C+0
HETATM    7  C   UNK     0      -7.030   1.268   1.559  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.258   1.002   0.332  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.232   2.171  -0.574  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.117   2.731  -0.928  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.775   2.325  -0.517  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.019   1.976  -1.751  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.477   0.822  -2.051  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.543  -0.329  -1.183  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.360  -0.921  -0.614  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.133  -0.536  -0.708  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.446   0.612  -1.406  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.175   1.426  -0.289  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.802   2.611  -0.859  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.071   2.887  -0.839  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.045   1.985  -0.210  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.067   1.502  -1.174  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.361   1.739  -1.022  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.972   2.482   0.070  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.890   1.876   0.999  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.303   0.672   1.123  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.914  -0.480   0.294  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.332  -1.471   1.290  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.828  -2.648   1.463  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.997  -3.140   0.717  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.142  -3.477   1.686  0.00  0.00           C+0
HETATM   32  H   UNK     0      -9.872  -4.026   0.150  0.00  0.00           H+0
HETATM   33  H   UNK     0      -8.528  -5.187   0.061  0.00  0.00           H+0
HETATM   34  H   UNK     0      -9.262  -4.900   1.658  0.00  0.00           H+0
HETATM   35  H   UNK     0      -7.004  -3.712   0.827  0.00  0.00           H+0
HETATM   36  H   UNK     0      -8.027  -2.876   1.976  0.00  0.00           H+0
HETATM   37  H   UNK     0      -7.894  -2.516  -1.152  0.00  0.00           H+0
HETATM   38  H   UNK     0      -8.532  -0.319  -0.856  0.00  0.00           H+0
HETATM   39  H   UNK     0      -9.051  -1.227   2.094  0.00  0.00           H+0
HETATM   40  H   UNK     0      -9.912   0.027   1.237  0.00  0.00           H+0
HETATM   41  H   UNK     0      -8.538   1.034   2.957  0.00  0.00           H+0
HETATM   42  H   UNK     0      -6.643   2.084   2.221  0.00  0.00           H+0
HETATM   43  H   UNK     0      -5.175   0.865   0.715  0.00  0.00           H+0
HETATM   44  H   UNK     0      -6.419   0.054  -0.179  0.00  0.00           H+0
HETATM   45  H   UNK     0      -7.221   2.560  -0.948  0.00  0.00           H+0
HETATM   46  H   UNK     0      -5.175   3.603  -1.608  0.00  0.00           H+0
HETATM   47  H   UNK     0      -3.631   1.689   0.329  0.00  0.00           H+0
HETATM   48  H   UNK     0      -3.242   3.314  -0.174  0.00  0.00           H+0
HETATM   49  H   UNK     0      -2.903   2.783  -2.495  0.00  0.00           H+0
HETATM   50  H   UNK     0      -1.964   0.675  -3.037  0.00  0.00           H+0
HETATM   51  H   UNK     0      -3.114  -1.159  -1.775  0.00  0.00           H+0
HETATM   52  H   UNK     0      -3.335  -0.103  -0.388  0.00  0.00           H+0
HETATM   53  H   UNK     0      -1.531  -1.849  -0.002  0.00  0.00           H+0
HETATM   54  H   UNK     0       0.629  -1.166  -0.178  0.00  0.00           H+0
HETATM   55  H   UNK     0       1.205   0.264  -2.139  0.00  0.00           H+0
HETATM   56  H   UNK     0      -0.182   1.320  -1.898  0.00  0.00           H+0
HETATM   57  H   UNK     0       1.710   0.802   0.392  0.00  0.00           H+0
HETATM   58  H   UNK     0       0.282   1.813   0.306  0.00  0.00           H+0
HETATM   59  H   UNK     0       1.116   3.341  -1.354  0.00  0.00           H+0
HETATM   60  H   UNK     0       3.442   3.797  -1.291  0.00  0.00           H+0
HETATM   61  H   UNK     0       4.533   2.555   0.593  0.00  0.00           H+0
HETATM   62  H   UNK     0       3.584   1.115   0.329  0.00  0.00           H+0
HETATM   63  H   UNK     0       4.753   0.916  -2.068  0.00  0.00           H+0
HETATM   64  H   UNK     0       7.004   1.339  -1.859  0.00  0.00           H+0
HETATM   65  H   UNK     0       7.597   3.323  -0.491  0.00  0.00           H+0
HETATM   66  H   UNK     0       6.228   3.161   0.573  0.00  0.00           H+0
HETATM   67  H   UNK     0       8.324   2.599   1.757  0.00  0.00           H+0
HETATM   68  H   UNK     0       9.043   0.418   1.937  0.00  0.00           H+0
HETATM   69  H   UNK     0       8.770  -0.875  -0.260  0.00  0.00           H+0
HETATM   70  H   UNK     0       7.103  -0.347  -0.413  0.00  0.00           H+0
HETATM   71  H   UNK     0       6.458  -1.069   1.830  0.00  0.00           H+0
HETATM   72  H   UNK     0       7.325  -3.296   2.219  0.00  0.00           H+0
HETATM   73  H   UNK     0       9.328  -2.597  -0.148  0.00  0.00           H+0
HETATM   74  H   UNK     0       8.646  -4.151   0.283  0.00  0.00           H+0
HETATM   75  H   UNK     0      10.781  -2.590   1.853  0.00  0.00           H+0
HETATM   76  H   UNK     0       9.698  -3.764   2.647  0.00  0.00           H+0
HETATM   77  H   UNK     0      10.746  -4.285   1.226  0.00  0.00           H+0
CONECT    1    2   32   33   34                                             
CONECT    2    1    3   35   36                                             
CONECT    3    2    4   37                                                  
CONECT    4    3    5   38                                                  
CONECT    5    4    6   39   40                                             
CONECT    6    5    7   41                                                  
CONECT    7    6    8   42                                                  
CONECT    8    7    9   43   44                                             
CONECT    9    8   10   45                                                  
CONECT   10    9   11   46                                                  
CONECT   11   10   12   47   48                                             
CONECT   12   11   13   49                                                  
CONECT   13   12   14   50                                                  
CONECT   14   13   15   51   52                                             
CONECT   15   14   16   53                                                  
CONECT   16   15   17   54                                                  
CONECT   17   16   18   55   56                                             
CONECT   18   17   19   57   58                                             
CONECT   19   18   20   59                                                  
CONECT   20   19   21   60                                                  
CONECT   21   20   22   61   62                                             
CONECT   22   21   23   63                                                  
CONECT   23   22   24   64                                                  
CONECT   24   23   25   65   66                                             
CONECT   25   24   26   67                                                  
CONECT   26   25   27   68                                                  
CONECT   27   26   28   69   70                                             
CONECT   28   27   29   71                                                  
CONECT   29   28   30   72                                                  
CONECT   30   29   31   73   74                                             
CONECT   31   30   75   76   77                                             
CONECT   32    1                                                            
CONECT   33    1                                                            
CONECT   34    1                                                            
CONECT   35    2                                                            
CONECT   36    2                                                            
CONECT   37    3                                                            
CONECT   38    4                                                            
CONECT   39    5                                                            
CONECT   40    5                                                            
CONECT   41    6                                                            
CONECT   42    7                                                            
CONECT   43    8                                                            
CONECT   44    8                                                            
CONECT   45    9                                                            
CONECT   46   10                                                            
CONECT   47   11                                                            
CONECT   48   11                                                            
CONECT   49   12                                                            
CONECT   50   13                                                            
CONECT   51   14                                                            
CONECT   52   14                                                            
CONECT   53   15                                                            
CONECT   54   16                                                            
CONECT   55   17                                                            
CONECT   56   17                                                            
CONECT   57   18                                                            
CONECT   58   18                                                            
CONECT   59   19                                                            
CONECT   60   20                                                            
CONECT   61   21                                                            
CONECT   62   21                                                            
CONECT   63   22                                                            
CONECT   64   23                                                            
CONECT   65   24                                                            
CONECT   66   24                                                            
CONECT   67   25                                                            
CONECT   68   26                                                            
CONECT   69   27                                                            
CONECT   70   27                                                            
CONECT   71   28                                                            
CONECT   72   29                                                            
CONECT   73   30                                                            
CONECT   74   30                                                            
CONECT   75   31                                                            
CONECT   76   31                                                            
CONECT   77   31                                                            
MASTER        0    0    0    0    0    0    0    0   77    0  152    0
END

RDKit          3D

77 76  0  0  0  0  0  0  0  0999 V2000
   -8.9815   -4.4038    0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0370   -3.2333    0.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1317   -2.2190   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4800   -0.9551    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8231   -0.3912    1.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0964    0.6777    1.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0298    1.2678    1.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2584    1.0021    0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2318    2.1711   -0.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172    2.7310   -0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    2.3255   -0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0186    1.9760   -1.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767    0.8222   -2.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5430   -0.3285   -1.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -0.9205   -0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1325   -0.5358   -0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457    0.6120   -1.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    1.4264   -0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8017    2.6112   -0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0709    2.8872   -0.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    1.9854   -0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0670    1.5024   -1.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3606    1.7386   -1.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9717    2.4825    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8904    1.8758    0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3035    0.6715    1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9136   -0.4802    0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3317   -1.4710    1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8281   -2.6475    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9966   -3.1404    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1422   -3.4766    1.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8717   -4.0259    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5281   -5.1867    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2625   -4.9003    1.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0044   -3.7122    0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0268   -2.8758    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8941   -2.5157   -1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5321   -0.3188   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0513   -1.2274    2.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9119    0.0265    1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5380    1.0336    2.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6430    2.0837    2.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1751    0.8651    0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4194    0.0539   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2205    2.5599   -0.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1746    3.6032   -1.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6313    1.6893    0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2422    3.3138   -0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9029    2.7827   -2.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9642    0.6749   -3.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1135   -1.1586   -1.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3346   -0.1027   -0.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5308   -1.8494   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6291   -1.1662   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    0.2639   -2.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1822    1.3204   -1.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7104    0.8017    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815    1.8128    0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1162    3.3412   -1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415    3.7975   -1.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331    2.5548    0.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5844    1.1151    0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.9162   -2.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0044    1.3390   -1.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5972    3.3230   -0.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2280    3.1607    0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3243    2.5989    1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0426    0.4183    1.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7698   -0.8746   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1025   -0.3472   -0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4578   -1.0686    1.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3246   -3.2958    2.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3276   -2.5968   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6462   -4.1513    0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7807   -2.5902    1.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976   -3.7639    2.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7460   -4.2853    1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  2 35  1  0
  2 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  6 41  1  0
  7 42  1  0
  8 43  1  0
  8 44  1  0
  9 45  1  0
 10 46  1  0
 11 47  1  0
 11 48  1  0
 12 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 16 54  1  0
 17 55  1  0
 17 56  1  0
 18 57  1  0
 18 58  1  0
 19 59  1  0
 20 60  1  0
 21 61  1  0
 21 62  1  0
 22 63  1  0
 23 64  1  0
 24 65  1  0
 24 66  1  0
 25 67  1  0
 26 68  1  0
 27 69  1  0
 27 70  1  0
 28 71  1  0
 29 72  1  0
 30 73  1  0
 30 74  1  0
 31 75  1  0
 31 76  1  0
 31 77  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Not Available

Chemical Formula

C₃₁H₄₆

Average Mass

418.7090 Da

Monoisotopic Mass

418.35995 Da

IUPAC Name

(3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene

Traditional Name

(3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene

CAS Registry Number

Not Available

SMILES

CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC

InChI Identifier

InChI=1S/C31H46/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31H,3-4,9-10,15-16,21-22,27-28,30H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-

InChI Key

QBQCAYTWEQRERN-VHUCEKMMSA-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
Shewanella	NPAtlas	20037794

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.

Kingdom

Organic compounds

Super Class

Hydrocarbons

Class

Unsaturated hydrocarbons

Sub Class

Unsaturated aliphatic hydrocarbons

Direct Parent

Unsaturated aliphatic hydrocarbons

Alternative Parents

Acyclic olefins

Substituents

Unsaturated aliphatic hydrocarbon
Olefin
Acyclic olefin
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Hydrocarbons (LMFA11000016 )

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	8.36	ALOGPS
logP	10.99	ChemAxon
logS	-7.3	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	19	ChemAxon
Refractivity	154.48 m³·mol⁻¹	ChemAxon
Polarizability	55.76 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

NPAtlas ID

NPA009500

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

58838117

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

52922084

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for (3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene (NP0008935)

MOL for NP0008935 ((3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene)

3D MOL for NP0008935 ((3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene)

3D SDF for NP0008935 ((3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene)

3D-SDF for NP0008935 ((3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene)

PDB for NP0008935 ((3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene)

3D PDB for NP0008935 ((3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene)

SMILES for NP0008935 ((3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene)

INCHI for NP0008935 ((3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene)

Structure for NP0008935 ((3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene)

3D Structure for NP0008935 ((3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene)