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Gliotide

  • Formula: C40H47N5O9

  • Molecular weight: 741.80

  • Smiles: CC1C(=O)NC(C(=O)OC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC=C(C)C

  • Type: Cyclodepsipeptide

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Gliotide

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Gliotide

  • First synonym: None

  • Synonyms: gliotide,(3R,9R,18S)-18-benzyl-9-[(4-hydroxyphenyl)methyl]-6,15-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-1-oxa-4,7,10,13,16-pentazacyclooctadecane-2,5,8,11,14,17-hexone,(3R,9R,18S)-18-benzyl-9-((4-hydroxyphenyl)methyl)-6,15-dimethyl-3-((4-(3-methylbut-2-enoxy)phenyl)methyl)-1-oxa-4,7,10,13,16-pentazacyclooctadecane-2,5,8,11,14,17-hexone,CHEBI:202455,887195-58-6

Identifiers / External links

Structure

  • Smiles: CC1C(=O)NC(C(=O)OC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC=C(C)C

  • Isomeric smiles: CC1C(=O)N[C@@H](C(=O)O[C@H](C(=O)NC(C(=O)NCC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)O)C)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC=C(C)C

  • Inchi: InChI=1S/C40H47N5O9/c1-24(2)18-19-53-31-16-12-29(13-17-31)21-33-40(52)54-34(22-27-8-6-5-7-9-27)39(51)43-25(3)36(48)41-23-35(47)44-32(20-28-10-14-30(46)15-11-28)38(50)42-26(4)37(49)45-33/h5-18,25-26,32-34,46H,19-23H2,1-4H3,(H,41,48)(H,42,50)(H,43,51)(H,44,47)(H,45,49)/t25?,26?,32-,33-,34+/m1/s1

  • Inchikey: JNXJCUUDHZAFNN-FNIIPNAYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C40H47N5O9

  • Molecular weight: 741.80

  • Monoisotopic mass: 741.33737809

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Fungi

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