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Incorrect properties of some monomers in the library #6795

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7 tasks done
ljubica-milovic opened this issue Mar 28, 2025 · 1 comment · Fixed by #6844, #6845 or #6846
Closed
7 tasks done

Incorrect properties of some monomers in the library #6795

ljubica-milovic opened this issue Mar 28, 2025 · 1 comment · Fixed by #6844, #6845 or #6846
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@ljubica-milovic
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ljubica-milovic commented Mar 28, 2025

  • Valine (V)
    Current structure:
    Image
    Correct structure (atom 5 should be O):
    Image

  • (2S)-6-amino-2-hydroxyhexanoic acid (DALys)
    Current structure:
    Image
    Correct structure (R2(OH) - 1-4; R3(H) - 9-10):
    Image

  • (2S,3R,4R,6E)-2-amino-3-hydroxy-4-methyloct-6-enoic acid (Bmt)
    Current structure:
    Image
    Correct structure (1-2 bond should be "stereo": 3):
    Image
    Name should be changed to: (2S,3R,4R)-2-amino-3-hydroxy-4-methyloct-6-enoic acid

  • (2R,3S,4S,6E)-2-amino-3-hydroxy-4-methyloct-6-enoic acid (D-Bmt)
    Current structure:
    Image
    Correct structure (1-2 bond should be "stereo": 3):
    Image
    Name should be changed to: (2R,3S,4S)-2-amino-3-hydroxy-4-methyloct-6-enoic acid

  • Ribose (R)
    Current structure:
    Image
    Correct structure (R1(H) - 10-11; R2(H) - 6-8; R3(OH) - 0-5):
    Image

  • Ribose (tR)
    Should have the name changed to Threose Nucleic Acid

  • Test-6-AP-Chem (Test-6-Ch)
    R6 should be 9-10

@ljubica-milovic ljubica-milovic changed the title Incorrect structure of amino-acid Valine (V) Incorrect structure of some monomers in the library Apr 3, 2025
@ljubica-milovic ljubica-milovic added this to the Ketcher 3.3.0-rc.2 milestone Apr 3, 2025
@ljubica-milovic ljubica-milovic self-assigned this Apr 3, 2025
@ljubica-milovic ljubica-milovic changed the title Incorrect structure of some monomers in the library Incorrect properties of some monomers in the library Apr 3, 2025
rrodionov91 added a commit that referenced this issue Apr 4, 2025
#6829 - Add monomers to the library

#6786 - Add monomers from HELM Core Library to Ketcher Library
rrodionov91 added a commit that referenced this issue Apr 4, 2025
#6829 - Add monomers to the library

#6786 - Add monomers from HELM Core Library to Ketcher Library
rrodionov91 added a commit that referenced this issue Apr 4, 2025
#6829 - Add monomers to the library

#6786 - Add monomers from HELM Core Library to Ketcher Library
rrodionov91 added a commit that referenced this issue Apr 4, 2025
#6829 - Add monomers to the library

#6786 - Add monomers from HELM Core Library to Ketcher Library
@rrodionov91 rrodionov91 linked a pull request Apr 4, 2025 that will close this issue
9 tasks
rrodionov91 added a commit that referenced this issue Apr 4, 2025
#6795 - Incorrect properties of some monomers in the library
#6829 - Add monomers to the library
#6786 - Add monomers from HELM Core Library to Ketcher Library
@Zhirnoff
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Zhirnoff commented Apr 7, 2025

Tested. Bug fixed.

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Desktop:

  • OS: Windows 11
  • Browser Chrome
  • Version 133.0.6943.127 (Official Build) (64-bit)

Ketcher version
[Version 3.2.0-rc.5]
Indigo version
[Version 1.30.0-rc.4]

rrodionov91 added a commit that referenced this issue Apr 7, 2025
#6829 - Add monomers to the library

#6786 - Add monomers from HELM Core Library to Ketcher Library
rrodionov91 added a commit that referenced this issue Apr 7, 2025
…ry (#6845)

#6795 - Incorrect properties of some monomers in the library
#6829 - Add monomers to the library
#6786 - Add monomers from HELM Core Library to Ketcher Library
rrodionov91 added a commit that referenced this issue Apr 7, 2025
#6829 - Add monomers to the library

#6786 - Add monomers from HELM Core Library to Ketcher Library
rrodionov91 added a commit that referenced this issue Apr 8, 2025
…ry (#6844)

#6795 - Incorrect properties of some monomers in the library
#6829 - Add monomers to the library
#6786 - Add monomers from HELM Core Library to Ketcher Library
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