Cytochalasin V
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Formula: C31H35NO7
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Molecular weight: 533.60
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Smiles: CC1CCCC(=O)C(=O)C=C(C(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)C=O
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Type: Cytochalasan
Cytochalasin V
Names
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Mycotoxin name: Cytochalasin V
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First synonym: None
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Synonyms: Cytochalasin V,(1R,4Z,11R,13Z,16S,18S,20S)-20-benzyl-16-hydroxy-11,18-dimethyl-17-methylidene-3,6,7,22-tetraoxo-2-oxa-21-azatricyclo[13.7.0.01,19]docosa-4,13-diene-4-carbaldehyde,(1R,4Z,11R,13Z,16S,18S,20S)-20-benzyl-16-hydroxy-11,18-dimethyl-17-methylidene-3,6,7,22-tetraoxo-2-oxa-21-azatricyclo(13.7.0.01,19)docosa-4,13-diene-4-carbaldehyde,CHEBI:227364
Identifiers / External links
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PubChem CID: 139587961
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ChemSpiderID: 10316559
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Chemical Entities of Biological Interest (CHEBI): CHEBI:227364
Structure
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Smiles: CC1CCCC(=O)C(=O)C=C(C(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)C=O
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Isomeric smiles: C[C@@H]1CCCC(=O)C(=O)/C=C(\C(=O)O[C@@]23C(/C=C\C1)[C@@H](C(=C)[C@H](C2[C@@H](NC3=O)CC4=CC=CC=C4)C)O)/C=O
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Inchi: InChI=1S/C31H35NO7/c1-18-9-7-13-23-28(36)20(3)19(2)27-24(15-21-11-5-4-6-12-21)32-30(38)31(23,27)39-29(37)22(17-33)16-26(35)25(34)14-8-10-18/h4-7,11-13,16-19,23-24,27-28,36H,3,8-10,14-15H2,1-2H3,(H,32,38)/b13-7-,22-16-/t18-,19+,23?,24-,27?,28+,31-/m0/s1
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Inchikey: RVLMWXCSXIUHIP-BKZNDJIASA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C31H35NO7
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Molecular weight: 533.60
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Monoisotopic mass: 533.24135246
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Fungi
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Fungi id Species 1026 Phoma exigua var. heteromorpha