Molecule

Gliotoxin; Trithia homologue

AlkaPlorer ID: AK299282

Synonym: Gliotoxin E

IUPAC Name: 7-hydroxy-11-(hydroxymethyl)-16-methyl-12,13,14-trithia-9,16-diazatetracyclo[9.3.2.01,9.03,8]hexadeca-3,5-diene-10,15-dione

SMILES: CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SSS3

InChI: InChI=1S/C13H14N2O4S3/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-22-20-12/h2-4,8-9,16-17H,5-6H2,1H3

InChIKey: RXXAGINROPIBAW-UHFFFAOYSA-N

PubChem CID: 13819121

LOTUS: LTS0242637

COCONUT: CNP0281047.1

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus fumigatus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Thermoascus crustaceus	Thermoascus	Thermoascaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Gliocladium	None	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
None	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Molecule Weight: 358.466

TPSA？: 81.08000000000001

MolLogP？: 0.3445000000000005

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 5

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi