loading...| Preferred Name |
gliotoxin |
|
| Synonyms |
Aspergillin C13H14N2O4S2 (3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-2,3,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_5385 |
|
| Definition |
A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_24127 |
|
| InChI |
InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1 |
|
| InChIKey |
InChIKey=FIVPIPIDMRVLAY-RBJBARPLSA-N |
|
| label |
gliotoxin |
|
| prefixIRI |
obo2:CHEBI_5385 |
|
| prefLabel |
gliotoxin |
|
| SMILES |
[H][C@@]12[C@@H](O)C=CC=C1C[C@@]13SS[C@@](CO)(N(C)C1=O)C(=O)N23 |
|
| Synonym |
Aspergillin C13H14N2O4S2 (3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-2,3,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione |
|
| xref |
KEGG COMPOUND:C10595 ChEMBL:299453 CASRN:50675 CASRN:67-99-2 Reaxys:50675 Wikipedia:Gliotoxin |
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| subClassOf |