NP-MRD: Showing NP-Card for Octaprenyl diphosphate (NP0086706)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

1.0

Created at

2022-05-11 16:28:44 UTC

Updated at

2022-05-11 16:28:44 UTC

NP-MRD ID

NP0086706

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Octaprenyl diphosphate

Description

Octaprenyl diphosphate, also known as farnesylfarnesylgeraniol or OPP, belongs to the class of organic compounds known as tetraterpenoids. These are terpenoid molecules containing 10 consecutively linked isoprene units. Octaprenyl diphosphate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Octaprenyl diphosphate exists in all living species, ranging from bacteria to humans. An all-trans-polyprenyl diphosphate composed from eight isoprenyl units. Outside of the human body, Octaprenyl diphosphate has been detected, but not quantified in, several different foods, such as alaska blueberries, hazelnuts, deerberries, sweet oranges, and cocoa beans. Octaprenyl diphosphate is found in Apis cerana. It was first documented in 1996 (PMID: 8765142). This could make octaprenyl diphosphate a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02231218552D          

 49 48  0  0  0  0            999 V2000
   -1.5318   -5.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4260   -5.3631    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2315   -5.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4260   -4.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4294   -6.1686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0369   -5.3631    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8457   -5.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0369   -4.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0403   -6.1686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9329   -5.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2263   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9571   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4954   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9571   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2949   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0257   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5640   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7564   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0257   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0983   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6366   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8332   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0983   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4361   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1669   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7012   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8977   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1669   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5047   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2395   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7779   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9703   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2395   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5774   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3081   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8424   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0390   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3081   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9192   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1116   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2378   -5.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4729   -5.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794   -5.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4729   -4.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6916   -5.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
 30 31  2  0  0  0  0
 12 49  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 12 14  1  0  0  0  0
 31 34  1  0  0  0  0
 33 27  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 15 16  2  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 38 32  1  0  0  0  0
 15 17  1  0  0  0  0
 40 41  2  0  0  0  0
 16 18  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 16 19  1  0  0  0  0
 41 44  1  0  0  0  0
 43 37  1  0  0  0  0
 18 13  1  0  0  0  0
 20 21  2  0  0  0  0
 10 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 42  1  0  0  0  0
 20 22  1  0  0  0  0
  1 10  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 17  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 11 12  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 22  1  0  0  0  0
 11 13  1  0  0  0  0
  2  4  1  0  0  0  0
M  END

     RDKit          3D

117116  0  0  0  0  0  0  0  0999 V2000
  -14.5510    0.7240   -0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3967   -0.4178   -1.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2794   -0.5579   -2.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4974   -1.3660   -0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6011   -1.2976    0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1591   -1.3649   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7143   -0.2334   -1.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9111    1.1233   -0.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2327   -0.5414   -2.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7533    0.3703   -3.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2290    1.7002   -2.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9912    1.7562   -2.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4086    3.0891   -1.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3932    0.6763   -1.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1722    0.7542   -0.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9983   -0.0160   -1.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8515    0.1762   -0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994    1.5197   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3172   -0.8717    0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2117   -0.8280    1.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0204   -1.6705    0.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220   -1.5381    1.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4123   -1.9358    3.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235   -1.0707    1.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1039   -0.9994    2.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2902   -1.8866    2.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3103   -1.6293    1.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4965   -2.5757    1.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3391   -0.6374    0.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4268   -0.4829   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    0.8064    0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7906    0.9482    1.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0773    1.0075    2.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1413    1.0658    1.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8280    1.2086    2.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8303    0.1452    2.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0087    0.1356    2.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0333   -0.9811    2.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2850    1.0212    1.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5281    0.9176    0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2376    0.8129   -0.9885 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7017    0.6978   -1.8507 P   0  0  1  0  0  5  0  0  0  0  0  0
   14.4185    2.0260   -1.7390 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7258   -0.4683   -1.1603 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3944    0.3470   -3.4589 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7200    0.7674   -4.4366 P   0  0  1  0  0  5  0  0  0  0  0  0
   15.1304    2.2014   -4.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0188   -0.2750   -4.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3116    0.6123   -6.0689 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7410    1.4683   -0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4898    1.2762   -0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6705    0.3583    0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8076   -0.1462   -3.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5133   -1.6404   -2.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2143   -0.0303   -2.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3841   -2.2149   -1.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8017   -2.1642    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7816   -0.3492    0.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5552   -1.1702    0.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8534   -2.3217   -0.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5558    1.7549   -1.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9844    1.6455   -0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4505    1.1178    0.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1981   -1.6687   -2.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5233    0.5057   -4.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9173   -0.1512   -3.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9371    2.4674   -2.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8939    2.1339   -3.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2661    3.2450   -0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4789    3.2871   -2.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1400    3.8602   -2.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8346   -0.3018   -1.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4082    0.2409    0.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8765    1.7678   -0.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6561    0.3553   -2.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2060   -1.0906   -1.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7519    2.2168   -0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2003    1.5762   -0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5916    1.9144    0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7437   -1.8538   -0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6155   -1.1878    2.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8280    0.1984    1.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3016   -2.7541    0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6058   -1.2992   -0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744   -2.6373    3.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4330   -2.3811    3.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4549   -1.0105    3.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4937   -0.7880    0.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5584   -1.0844    3.7487 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141    0.0658    2.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7410   -1.8646    3.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0089   -2.9758    2.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4015   -3.3516    2.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4440   -2.0427    1.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4547   -3.0907    0.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5638    0.0924    0.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0359   -0.4831   -1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1631   -1.3262   -0.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3797    1.6172   -0.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8974    0.9780   -0.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3318    1.9588    3.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9752    1.0382    2.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3722    0.1567    3.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6555    1.0403    0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3050    2.2340    2.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0987    1.1994    3.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3014   -0.8599    2.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1864    0.1976    4.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1190   -1.5711    1.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6726   -1.6472    3.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9645   -0.4804    2.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6362    1.8615    1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1675    1.8072    0.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1079    0.0437    0.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9327   -0.1617   -0.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4920   -0.5772   -4.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3137    0.6970   -6.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 39 40  1  0
 40 41  1  0
 42 41  1  1
 42 44  1  0
 42 43  2  0
 42 45  1  0
 46 45  1  1
 46 48  1  0
 46 49  1  0
 46 47  2  0
  1 50  1  0
  1 51  1  0
  1 52  1  0
  3 53  1  0
  3 54  1  0
  3 55  1  0
  4 56  1  0
  5 57  1  0
  5 58  1  0
  6 59  1  0
  6 60  1  0
  8 61  1  0
  8 62  1  0
  8 63  1  0
  9 64  1  0
 10 65  1  0
 10 66  1  0
 11 67  1  0
 11 68  1  0
 13 69  1  0
 13 70  1  0
 13 71  1  0
 14 72  1  0
 15 73  1  0
 15 74  1  0
 16 75  1  0
 16 76  1  0
 18 77  1  0
 18 78  1  0
 18 79  1  0
 19 80  1  0
 20 81  1  0
 20 82  1  0
 21 83  1  0
 21 84  1  0
 23 85  1  0
 23 86  1  0
 23 87  1  0
 24 88  1  0
 25 89  1  0
 25 90  1  0
 26 91  1  0
 26 92  1  0
 28 93  1  0
 28 94  1  0
 28 95  1  0
 29 96  1  0
 30 97  1  0
 30 98  1  0
 31 99  1  0
 31100  1  0
 33101  1  0
 33102  1  0
 33103  1  0
 34104  1  0
 35105  1  0
 35106  1  0
 36107  1  0
 36108  1  0
 38109  1  0
 38110  1  0
 38111  1  0
 39112  1  0
 40113  1  0
 40114  1  0
 44115  1  0
 48116  1  0
 49117  1  0
M  END


  Mrv0541 02231218552D          

 49 48  0  0  0  0            999 V2000
   -1.5318   -5.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4260   -5.3631    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2315   -5.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4260   -4.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4294   -6.1686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0369   -5.3631    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8457   -5.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0369   -4.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0403   -6.1686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9329   -5.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2263   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9571   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4954   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9571   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2949   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0257   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5640   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7564   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0257   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0983   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6366   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8332   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0983   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4361   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1669   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7012   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8977   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1669   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5047   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2395   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7779   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9703   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2395   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5774   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3081   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8424   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0390   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3081   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9192   -5.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1116   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2378   -5.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4729   -5.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794   -5.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4729   -4.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6916   -5.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
 30 31  2  0  0  0  0
 12 49  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 12 14  1  0  0  0  0
 31 34  1  0  0  0  0
 33 27  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 15 16  2  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 38 32  1  0  0  0  0
 15 17  1  0  0  0  0
 40 41  2  0  0  0  0
 16 18  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 16 19  1  0  0  0  0
 41 44  1  0  0  0  0
 43 37  1  0  0  0  0
 18 13  1  0  0  0  0
 20 21  2  0  0  0  0
 10 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 42  1  0  0  0  0
 20 22  1  0  0  0  0
  1 10  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 17  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 11 12  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 22  1  0  0  0  0
 11 13  1  0  0  0  0
  2  4  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0086706

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+

> <INCHI_KEY>
IKKLDISSULFFQO-DJMILUHSSA-N

> <FORMULA>
C40H68O7P2

> <MOLECULAR_WEIGHT>
722.9112

> <EXACT_MASS>
722.444027554

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
86.26483405216398

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[hydroxy({[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy})phosphoryl]oxy}phosphonic acid

> <ALOGPS_LOGP>
7.60

> <JCHEM_LOGP>
11.915304435666666

> <ALOGPS_LOGS>
-6.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.1843406094078315

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7672186885241006

> <JCHEM_POLAR_SURFACE_AREA>
113.28999999999999

> <JCHEM_REFRACTIVITY>
215.74350000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
26

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.70e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
octaprenyl pyrophosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      -2.859  -9.981   0.000  0.00  0.00           O+0
HETATM    2  P   UNK     0      -4.529 -10.011   0.000  0.00  0.00           P+0
HETATM    3  O   UNK     0      -6.032 -10.011   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -4.529  -8.508   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      -4.535 -11.515   0.000  0.00  0.00           O+0
HETATM    6  P   UNK     0      -7.536 -10.011   0.000  0.00  0.00           P+0
HETATM    7  O   UNK     0      -9.045 -10.011   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -7.536  -8.508   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -7.542 -11.515   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -1.741  -9.379   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      37.756 -10.081   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      39.120  -9.367   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      36.391  -9.367   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      39.120  -7.930   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      32.284 -10.081   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      33.648  -9.367   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      30.919  -9.367   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      35.012 -10.081   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      33.648  -7.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      26.819 -10.081   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      28.183  -9.367   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      25.455  -9.367   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      29.555 -10.081   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      28.183  -7.930   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      21.347 -10.081   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      22.712  -9.367   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      19.976  -9.367   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      24.076 -10.081   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      22.712  -7.930   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.875 -10.081   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      17.247  -9.367   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      14.519  -9.367   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      18.611 -10.081   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      17.247  -7.930   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.411 -10.081   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      11.775  -9.367   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.039  -9.367   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      13.139 -10.081   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      11.775  -7.930   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.947 -10.081   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.311  -9.367   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       3.583  -9.367   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       7.675 -10.081   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       6.311  -7.930   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -0.444 -10.079   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       0.883  -9.379   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       2.202 -10.079   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       0.883  -8.002   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      40.491 -10.079   0.000  0.00  0.00           C+0
CONECT    1    2   10                                                       
CONECT    2    5    1    3    4                                             
CONECT    3    6    2                                                       
CONECT    4    2                                                            
CONECT    5    2                                                            
CONECT    6    3    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    6                                                            
CONECT   10   45    1                                                       
CONECT   11   12   13                                                       
CONECT   12   49   14   11                                                  
CONECT   13   18   11                                                       
CONECT   14   12                                                            
CONECT   15   16   17                                                       
CONECT   16   15   18   19                                                  
CONECT   17   15   23                                                       
CONECT   18   16   13                                                       
CONECT   19   16                                                            
CONECT   20   21   22                                                       
CONECT   21   20   23   24                                                  
CONECT   22   20   28                                                       
CONECT   23   21   17                                                       
CONECT   24   21                                                            
CONECT   25   26   27                                                       
CONECT   26   25   28   29                                                  
CONECT   27   33   25                                                       
CONECT   28   26   22                                                       
CONECT   29   26                                                            
CONECT   30   31   32                                                       
CONECT   31   30   33   34                                                  
CONECT   32   30   38                                                       
CONECT   33   31   27                                                       
CONECT   34   31                                                            
CONECT   35   36   37                                                       
CONECT   36   35   38   39                                                  
CONECT   37   35   43                                                       
CONECT   38   36   32                                                       
CONECT   39   36                                                            
CONECT   40   41   42                                                       
CONECT   41   40   43   44                                                  
CONECT   42   40   47                                                       
CONECT   43   41   37                                                       
CONECT   44   41                                                            
CONECT   45   10   46                                                       
CONECT   46   45   47   48                                                  
CONECT   47   46   42                                                       
CONECT   48   46                                                            
CONECT   49   12                                                            
MASTER        0    0    0    0    0    0    0    0   49    0   96    0
END

View in JSmol

Synonyms

Value	Source
(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-octaenyl trihydrogen diphosphATE	ChEBI
all-trans-Octaprenyl pyrophosphate	ChEBI
Farnesylfarnesylgeraniol	ChEBI
(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-octaenyl trihydrogen diphosphoric acid	Generator
all-trans-Octaprenyl pyrophosphoric acid	Generator
Octaprenyl diphosphoric acid	Generator
all-trans-Octaprenyl diphosphate	HMDB
Octaprenyl pyrophosphate	HMDB
OPP	HMDB

Chemical Formula

C₄₀H₆₈O₇P₂

Average Mass

722.9112 Da

Monoisotopic Mass

722.44403 Da

IUPAC Name

{[hydroxy({[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy})phosphoryl]oxy}phosphonic acid

Traditional Name

octaprenyl pyrophosphate

CAS Registry Number

Not Available

SMILES

CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O

InChI Identifier

InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+

InChI Key

IKKLDISSULFFQO-DJMILUHSSA-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
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Apis cerana	LOTUS Database	35616633
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetraterpenoids. These are terpenoid molecules containing 10 consecutively linked isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Tetraterpenoids

Alternative Parents

Substituents

Tetraterpenoid
Bactoprenol diphosphate
Polyprenyl diphosphate
Polyprenyl monophosphate
Polyprenyl phosphate skeleton
Isoprenoid phosphate
Organic pyrophosphate
Monoalkyl phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Organooxygen compound
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

all-trans-polyprenyl diphosphate (CHEBI:16275 )
octaprenyl diphosphate (CHEBI:16275 )
C40 isoprenoids (tetraterpenes) (C04146 )
Polyterpenoids (C04146 )
C40 isoprenoids (tetraterpenes) (LMPR01070226 )

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	7.6	ALOGPS
logP	11.92	ChemAxon
logS	-6.3	ALOGPS
pKa (Strongest Acidic)	1.77	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	113.29 Å²	ChemAxon
Rotatable Bond Count	26	ChemAxon
Refractivity	215.74 m³·mol⁻¹	ChemAxon
Polarizability	86.26 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0001094

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB022423

KNApSAcK ID

Not Available

Chemspider ID

4444251

KEGG Compound ID

C04146

BioCyc ID

OCTAPRENYL-DIPHOSPHATE

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

6000

PubChem Compound

5280651

PDB ID

Not Available

ChEBI ID

16275

Good Scents ID

Not Available

References

General References

Okada K, Suzuki K, Kamiya Y, Zhu X, Fujisaki S, Nishimura Y, Nishino T, Nakagawa T, Kawamukai M, Matsuda H: Polyprenyl diphosphate synthase essentially defines the length of the side chain of ubiquinone. Biochim Biophys Acta. 1996 Aug 16;1302(3):217-23. doi: 10.1016/0005-2760(96)00064-1. [PubMed:8765142 ]

Showing NP-Card for Octaprenyl diphosphate (NP0086706)

MOL for NP0086706 (Octaprenyl diphosphate)

3D MOL for NP0086706 (Octaprenyl diphosphate)

3D SDF for NP0086706 (Octaprenyl diphosphate)

3D-SDF for NP0086706 (Octaprenyl diphosphate)

PDB for NP0086706 (Octaprenyl diphosphate)

3D PDB for NP0086706 (Octaprenyl diphosphate)

SMILES for NP0086706 (Octaprenyl diphosphate)

INCHI for NP0086706 (Octaprenyl diphosphate)

Structure for NP0086706 (Octaprenyl diphosphate)

3D Structure for NP0086706 (Octaprenyl diphosphate)