loading...| Preferred Name |
gliotoxin |
|
| Synonyms |
(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 Aspergillin |
|
| Definitions |
A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_5385 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:25062268 KEGG:C10595 Reaxys:50675 Beilstein:50675 KNApSAcK:C00002340 PMID:25982450 PMID:25816130 PMID:25766143 PMID:24368570 PMID:25494483 PMID:16020669 PMID:23832115 Wikipedia:Gliotoxin PMID:24847038 CAS:67-99-2 PPDB:2793 |
|
| formula |
C13H14N2O4S2 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_25442 http://purl.obolibrary.org/obo/CHEBI_64133 |
|
| has_exact_synonym |
(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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Aspergillin |
|
| id |
CHEBI:5385 |
|
| in_subset | ||
| 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 |
FIVPIPIDMRVLAY-RBJBARPLSA-N |
|
| label |
gliotoxin |
|
| mass |
326.39100 |
|
| monoisotopicmass |
326.03950 |
|
| notation |
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 |
|
| textual definition |
A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_64130 http://purl.obolibrary.org/obo/CHEBI_46761 |