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Cephaibol Q

  • Formula: C89H137N19O24

  • Molecular weight: 1857.20

  • Smiles: CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(C)(C)C(=O)N2CC(CC2C(=O)NC(C)(C)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CO)C(=O)O)O)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(CC)NC(=O)C(CC5=CC=CC=C5)NC(=O)C

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Cephaibol Q

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

Names

  • Mycotoxin name: Cephaibol Q

  • First synonym: None

  • Synonyms: Cephaibol Q,CHEBI:216358,304911-42-0

Identifiers / External links

Structure

  • Smiles: CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(C)(C)C(=O)N2CC(CC2C(=O)NC(C)(C)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CO)C(=O)O)O)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(CC)NC(=O)C(CC5=CC=CC=C5)NC(=O)C

  • Isomeric smiles: CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(C)(C)C(=O)N2CC(CC2C(=O)NC(C)(C)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CO)C(=O)O)O)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(CC)NC(=O)C(CC5=CC=CC=C5)NC(=O)C

  • Inchi: InChI=1S/C89H137N19O24/c1-19-48(5)65(99-79(128)85(10,11)100-69(117)55(36-38-64(91)114)96-80(129)89(18,20-2)105-71(119)58(92-50(7)111)43-52-31-25-22-26-32-52)75(123)98-66(49(6)110)76(124)104-84(8,9)78(127)97-56(41-47(3)4)70(118)102-86(12,13)81(130)106-39-27-33-60(106)72(120)93-54(35-37-63(90)113)68(116)101-88(16,17)83(132)108-45-53(112)44-62(108)74(122)103-87(14,15)82(131)107-40-28-34-61(107)73(121)94-57(42-51-29-23-21-24-30-51)67(115)95-59(46-109)77(125)126/h21-26,29-32,47-49,53-62,65-66,109-110,112H,19-20,27-28,33-46H2,1-18H3,(H2,90,113)(H2,91,114)(H,92,111)(H,93,120)(H,94,121)(H,95,115)(H,96,129)(H,97,127)(H,98,123)(H,99,128)(H,100,117)(H,101,116)(H,102,118)(H,103,122)(H,104,124)(H,105,119)(H,125,126)

  • Inchikey: FTIJEQDBVFBQOD-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C89H137N19O24

  • Molecular weight: 1857.20

  • Monoisotopic mass: 1856.00838631

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