Molecular Models in .pdb format.
Dr Dave Woodcock

Chemistry Department
Okanagan University College
Kelowna, British Columbia, Canada.


Copyright, 1996, Dave Woodcock
Structures now catalogued with Chemfinder
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New Entries

    (96 12 20)
  1. C10H13N5O4 : AZT : pdb
    (+)-3'azido-2'-deoxythymidine: AIDS drug
    information
    more information
    L.U.M.O.
  2. C10H18O : Nerol : pdb
    widely occuring monoterpene, diastereoisomer of geraniol (qv)
  3. C11H18O2 : Nerol formate : pdb
    Alarm pheromone of the cheese mite Tyrophagus putrescentiae
    Used in perfumery, which led Thomas and Bessiere (in Total Synthesis of Natural Products Vol. 4, p459) to wonder "what the effect of a perfumed hand over a dish of doubtful cheese would be!"
  4. C10H18O : Geraniol : pdb
    From Turkish geranium oil, diasteriomer of nerol (qv).
  5. C10H16O : Citral : pdb
  6. C10H18O : Citronellal : pdb
  7. C10H14O : Filifolone : pdb
    A bicyclo[3.2.0]enone and a monoterpene.
  8. C10H18O : Fragranol : pdb
    A cyclobutanone from Artemisia fragrens. Diastereoisomer of grandisol.
  9. C16H30O : Bombykol : pdb
    Pheromone from the silkworm moth, Bombyx mori.
    This isomer, (10E,12Z) found to be as active as the natural product.
  10. C9H16O2 : exo-Brevicomin : pdb
    A natural cyclic ketal
    Component of the aggregation pheromone of the female western pine beetle, Dendroctomus brevicomis.
  11. C8H14O2 : Frontalin : pdb
    A natural cyclic ketal
    From the male western pine beetle, Dendroctomus brevicomis.
  12. C8H16O : (+)-(S)-Sulcatol : pdb
  13. C8H16O : (-)-(R)-Sulcatol : pdb
    Sulcatol is an aggregation pheromone produced by males of Gnathotrichus sulcatus.
    Neither enantiomer is biologically active on its own, but the racemic mixture is more active than the natural pheromone which is a 65% S to 35% R mixture.
  14. C10H18O2 : (Z)-Dec-3-enoic acid : pdb
    Sex pheromone of the furniture carpet beetle, Anthrenus flavipes.
  15. C11H22O : Undecanal : pdb
    Pheromone of the male greater wax moth, Galleria mellonella.
  16. C12H18O4 : (2E,6E)-3,7-Dimethyldeca-2,6-dienedioic acid : pdb
    Isolated from the hairpencils of male monarch butterflies, Danaus plexippus.
  17. C10H16O3 : (E)-9-Oxodec-2-enoic acid : pdb
    Queen substance of honey bee, Apis mellifera.
  18. C8H9NO : 2,3-Dihydro-7-methylpyrrolizine-1-one : pdb
    Pheromone of queen butterfly, Danaus gilippus berenice, and isolated from other butterflies.
  19. C7H12O : (S)-(-)-Seudenol : pdb
  20. C7H12O : (R)-(+)-Seudenol : pdb
    Seudenol is an aggregatoin pheromone from the female Douglas fir beetle, Dendroctonus pseudotsugae.
    Similar to the case of sulcatol (qv), the natural pheromone is a racemic mixture which is much more biologically active than either single enantiomer.
  21. C19H38O2 : (2S,3S,7S)-3,7-Dimethylpentadec-2-yl acetate : pdb
    Attractive to the American pine sawfly, Neodiprion pinetum.
  22. C8H18O : (3S,4S)-4-Methylheptan-3-ol : pdb
    An aggregation pheromone of the smaller European elm bark beetle, Scolytus multistriatus.
  23. C8H16O : (S)-4-Methylheptan-3-one : pdb
    Principal alarm pheromone of the leaf-cutting ant, Atta texana.
  24. C9H18O : (S)-6-Methyloctan-3-one : pdb
    Alarm pheromone of ants of the genus Crematogaster
  25. C10H18O : (S)-(+)-Manicone : pdb
    Alarm pheromone of ants.
  26. C15H20O3 : Periplanone-B : pdb
    Component of the sex pheromone of the American cockroach, Periplaneta americana.
  27. C10H16O : (S)-(+)-Ipsdienol : pdb
    This enantiomer is a pheromone of Ips paraconfusus and Ips avulsus.
  28. C10H16O : (R)-(-)-Ipsdienol : pdb
    This enantiomer is a pheromone of Ips calligraphus.
    Note that each enantiomer is specific to the species mentioned, but not to the other.
  29. C21H30O2 : (-)-Delta(1)-THC : pdb
    Active component of marijuana.

    (96 11 18)

  30. C5H11 : Piperidine : pdb
  31. C4H8O2 : Butanoic acid : pdb
  32. C7H12 : Hept-1-yne : pdb
  33. C2H3N : Acetonitrile : pdb
  34. C4H6O3 : Acetic anhydride : pdb
  35. C4H8O2 : Ethyl acetate : pdb
  36. C5H10 : 2-Methyl-2-butene : pdb
  37. C5H11Br : 2-Bromo-2-methylbutane : pdb
  38. C5H11Br : (S)-2-Bromo-3-methylbutane : pdb
  39. C5H11Br : (R)-2-Bromo-3-methylbutane : pdb
  40. C9H9NO : trans-Cinnamamide : pdb
  41. C12H10 : Acenaphthene : pdb
  42. C14H10O2 : Benzil : pdb
  43. C8H7NO4 : Methyl 4-nitrobenzoate : pdb
  44. C8H10 : meta-Xylene : pdb
  45. C6H7NO : p-Aminophenol : pdb
  46. C8H9NO2 : Tylenol : pdb
    web information on use, side effects, etc.
    web information on dosage, etc.
    web information on tylenol with codeine
  47. C14H12 : trans-Stilbene : pdb
  48. C14H12 : cis-Stilbene : pdb
  49. C10H8O : 2-Naphthol : pdb

    (96 11 14)

  50. C5H12O : (S)-2-Methoxybutane : pdb
  51. C5H12O : (R)-2-Methoxybutane : pdb
  52. C6H13Br : (S)-3-Bromo-2-methylpentane : pdb
  53. C6H13Br : (R)-3-Bromo-2-methylpentane : pdb
  54. C9H18O2 : (S)-2-Isopropyl-4-methylpentanoic acid : pdb
  55. C9H18O2 : (R)-2-Isopropyl-4-methylpentanoic acid : pdb
  56. C5H11BrO : (R)-1-Bromopentan-3-ol : pdb
  57. C5H11BrO : (S)-1-Bromopentan-3-ol : pdb
  58. C3H5BrO2 : (S)-2-Bromopropanoic acid : pdb
  59. C3H5BrO2 : (R)-2-Bromopropanoic acid : pdb
  60. C8H14O2 : (R)-3,5-Dimethylhexane-2,4-dione : pdb
  61. C8H14O2 : (S)-3,5-Dimethylhexane-2,4-dione : pdb
  62. C5H9Cl : (S)-3-Chloropent-1-ene : pdb
  63. C5H9Cl : (R)-3-Chloropent-1-ene : pdb
  64. C6H11N : (S)-Hex-4-yn-3-amine : pdb
  65. C6H11N : (R)-Hex-4-yn-3-amine : pdb
  66. C7H14O : (R)-2,2-Dimethylcyclopentanol : pdb
  67. C7H14O : (S)-2,2-Dimethylcyclopentanol : pdb
  68. C10H17Br : (S)-2Bromospiro[4.5]decane : pdb
  69. C10H17Br : (R)-2Bromospiro[4.5]decane : pdb

    (96 10 22)

  70. C7H8O : Benzyl alcohol, phenylmethanol : pdb
  71. C7H5NO3S : Saccharine : pdb
  72. C4H5NO4S : Acesulfane : pdb
  73. C10H22O2 : meso-2,3,4,5-tetramethylhexane-2,5-diol : pdb
  74. C6H14O2 : (S)-2-Methylpentane-2,4-diol : pdb
  75. C6H14O2 : (R)-2-Methylpentane-2,4-diol : pdb
  76. C5H12O2 : 2,2-Dimethylpropane-1,3-diol : pdb
  77. C3H6O3 : (R)-(+)-Glyceraldehyde : pdb
  78. C3H6O3 : (S)-(-)-Glyceraldehyde : pdb
  79. C4H8O4 : (2R,3R)-2,3,4-trihydroxybutanal, D-erythrose (open chain) : pdb
  80. C4H8O4 : (2S,3S)-2,3,4-trihydroxybutanal, L-erythrose (open chain) : pdb
  81. C4H8O4 : (2R,3S)-2,3,4-trihydroxybutanal, L-threose (open chain) : pdb
  82. C4H8O4 : (2S,3S)-2,3,4-trihydroxybutanal, D-threose (open chain) : pdb
  83. C6H12O6 : beta-D-Glucopyranose : pdb
  84. C6H12O6 : alpha-D-Glucopyranose : pdb
  85. C12H22O11 : Maltose : pdb
  86. C12H22O11 : Cellebiose : pdb
  87. C12H22O11 : Sucrose : pdb
  88. C12H22O11 : Lactose : pdb
  89. C10H17NO6 : Linamarin : pdb
    from manoic, a SE Asian yam.
  90. C10H16NO8S2 : Sinigrin (anion) : pdb
    flavour compound in mustard and horseradish.
  91. C14H18O8 : Vanillin beta-D-glucoside : pdb
  92. C8H14O4 : Dimethoxane, chair, all equatorial : pdb

    (96 09 23)

  93. C4H10O : (S)-Butan-2-ol : pdb
  94. C4H10O : (R)-Butan-2-ol : pdb
  95. C6H11Cl : (R)-1-Chloro-2,3-dimethylbutane : pdb
  96. C6H11Cl : (S)-1-Chloro-2,3-dimethylbutane : pdb
  97. C8H16O2 : (S)-3-Ethylhexanoic acid : pdb
  98. C8H16O2 : (R)-3-Ethylhexanoic acid : pdb
  99. C3H6BrO2 : (S)-2-Bromopropanoic acid : pdb
  100. C3H6BrO2 : (R)-2-Bromopropanoic acid : pdb
  101. C4H9BrO : (2R,3R)-3-Bromobutan-2-ol : pdb
  102. C4H9BrO : (2S,3S)-3-Bromobutan-2-ol : pdb
  103. C4H9BrO : (2S,3R)-3-Bromobutan-2-ol : pdb
  104. C4H9BrO : (2R,3S)-3-Bromobutan-2-ol : pdb
  105. C6H8 : (R)-3-Methylpentan-1-en-4-yne : pdb
  106. C6H8 : (S)-3-Methylpentan-1-en-4-yne : pdb
  107. C7H14O : (S)-2,2-Dimethylcyclopentan-2-ol : pdb
  108. C7H14O : (R)-2,2-Dimethylcyclopentan-2-ol : pdb

    (96 09 17)

  109. C5H12O2 : (2S,3R)-2-Methylbutane-1,3-diol : pdb
  110. C5H12O2 : (2R,3S)-2-Methylbutane-1,3-diol : pdb
  111. C5H12O2 : (2R,3R)-2-Methylbutane-1,3-diol : pdb
  112. C5H12O2 : (2S,3S)-2-Methylbutane-1,3-diol : pdb
  113. C6H12O2 : trans-cyclohexane-1,4-diol : pdb
    (chair, diequatorial)
  114. C6H14O : 2,3-Dimethylbutan-2-ol : pdb
  115. C3H8O2 : Propane-1,3-diol : pdb
  116. C3H8O3 : Propane-1,2,3-triol : pdb
  117. C7H16O2 : 2,2-Diethylpropane-1,3-diol : pdb

    (96 09 05)

  118. C5H12O : (R)-3-Methylbutan-2-ol : pdb
  119. C5H12O : (S)-3-Methylbutan-2-ol : pdb
  120. C5H12O : (R)-2-Methylbutan-1-ol : pdb
  121. C5H12O : (S)-2-Methylbutan-1-ol : pdb
  122. C5H12O : 2-Methylbutan-2-ol : pdb
  123. C5H12O : 3-Methylbutan-1-ol : pdb
  124. C4H10O : 2-Methylpropan-1-ol : pdb
  125. C4H10O : 2-Methylpropan-2-ol : pdb

    (96 09 03)

  126. C21H36O2 : 3-Pentadecylcatechol : pdb
    constituent of the irritant oil of poison ivy.
    other sites:poison ivy
    poison ivy
    poison ivy
    poison ivy

    (since 96 07 31)

  127. C10Cl10O : Chlordecone : pdb
    Kepone, a polycyclic insecticide and fungicide.
    molecule contains no hydrogen.
    info on the web
    more info on the web
    An Introduction to Insecticides"
  128. C27H46O : Cholesterol : pdb
    Steroid transformations
    Lab Isolation of Cholesterol
    Photo Gallery
    Control High Cholesterol Levels
    Cholesterol: Heart and Stroke Guide
  129. C21H32O2 : Pregnenolone : pdb
    Steroid transformations

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All versions of Molecular Models in .pdb Form, including all molecular model coordinate files (the .pdb files) are copyright 1996 by Dave Woodcock, Department of Chemistry, Okanagan University College, BC, Canada.

If this site is not at www.sci.ouc.bc.ca note that it may be incomplete.
The current version of this document is available from Chem at OUC .


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