Gliotoxin acetate
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Formula: C15H16N2O5S2
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Molecular weight: 368.40
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Smiles: CC(=O)OC1C=CC=C2C1N3C(=O)C4(N(C(=O)C3(C2)SS4)C)CO
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Type: Epipolythiopiperazine-3,6-dione
Gliotoxin acetate
Names
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Mycotoxin name: Gliotoxin acetate
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First synonym: None
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Synonyms: Acetylgliotoxin,Gliotoxin acetate,Gliotoxin monoacetate,Gliotoxin monoacetate [MI],UNII-KFM1BL86EA,KFM1BL86EA,146016-64-0,10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 6-(acetyloxy)-2,3,5a,6-tetrahydro-3-(hydroxymethyl)-2-methyl-, (3R-(3alpha,5abeta,6beta,10aalpha))-,Q27282232,10H-3,10A-EPIDITHIOPYRAZINO(1,2-A)INDOLE-1,4-DIONE, 6-(ACETYLOXY)-2,3,5A,6-TETRAHYDRO-3-(HYDROXYMETHYL)-2-METHYL-, (3R-(3.ALPHA.,5A.BETA.,6.BETA.,10A.ALPHA.))-
Identifiers / External links
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CAS: 146016-64-0
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PubChem CID: 86278268
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US FDA (UNII): UNII-KFM1BL86EA
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Wikidata (wiki): Q27282232
Structure
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Smiles: CC(=O)OC1C=CC=C2C1N3C(=O)C4(N(C(=O)C3(C2)SS4)C)CO
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Isomeric smiles: CC(=O)O[C@H]1C=CC=C2[C@@H]1N3C(=O)[C@@]4(N(C(=O)[C@@]3(C2)SS4)C)CO
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Inchi: InChI=1S/C15H16N2O5S2/c1-8(19)22-10-5-3-4-9-6-14-12(20)16(2)15(7-18,24-23-14)13(21)17(14)11(9)10/h3-5,10-11,18H,6-7H2,1-2H3/t10-,11-,14+,15+/m0/s1
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Inchikey: ANMNRGVATKMYOR-UOVKNHIHSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H16N2O5S2
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Molecular weight: 368.40
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Monoisotopic mass: 368.05006396
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Fungi
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Fungi id Species