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(Q104995889)
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English
(1R,7S,8R,11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
gliotoxin
1 reference
based on heuristic
inferred from SMILES
mass
326.039498928
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
gliotoxin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₄N₂O₄S₂
0 references
canonical SMILES
O=C1N(C)C2(SSC13N(C2=O)C4C(=CC=CC4O)C3)CO
0 references
isomeric SMILES
CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@@H]4N2C(=O)[C@@]1(CO)SS3
0 references
found in taxon
Aspergillus fumigatus
1 reference
stated in
GliA in Aspergillus fumigatus is required for its tolerance to gliotoxin and affects the amount of extracellular and intracellular gliotoxin
Albifimbria verrucaria
1 reference
stated in
THE STRUCTURE OF GLIOTOXIN
Ceratocystis fimbriata
1 reference
stated in
Relationship between the fungus Ceratocystis fimbriata coffea and the canker disease of the coffee tree
Identifiers
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
0 references
InChIKey
FIVPIPIDMRVLAY-HIAZDOBYSA-N
0 references
PubChem CID
6713040
0 references
UniChem compound ID
61798095
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA017485
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FIVPIPIDMRVLAY-HIAZDOBYSA-N
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