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Bisdethiobis(methylthio)gliotoxin

PropertiesImage
MNX_IDMNXM148975 Image of MNXM148975
referencechebi:219781
formulaC15H20N2O4S2
global charge0
mol weight356.469
InChIKeyOVBAGMZLGLXSBN-UOVKNHIHSA-N
InChIInChI=1S/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1
SMILESCS[C@]1(CO)C(=O)N2[C@H]3C(=CC=C[C@@H]3O)C[C@@]2(SC)C(=O)N1C
MNX internals
InChI (mnx)InChI=1/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1 Image of MNXM148975
SMILES (mnx)[CH3:1][N:16]1[C:12](=[O:20])[C@:14]2([S:22][CH3:2])[CH2:7][C:9]3=[CH:5][CH:4]=[CH:6][C@H:10]([OH:19])[C@H:11]3[N:17]2[C:13](=[O:21])[C@@:15]1([CH2:8][OH:18])[S:23][CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:219781
chebi:219781
OVBAGMZLGLXSBN-UOVKNHIHSA-N 		Bisdethiobis(methylthio)gliotoxin
(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulanyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione

seed.compound:cpd33031
seedM:cpd33031
OVBAGMZLGLXSBN-UOVKNHIHSA-N 		BmGT
bis(methylsulfanyl)gliotoxin
bis(methylthio)gliotoxin
bisdethiobis(methylthio)gliotoxin

metacyc.compound:CPD-17053
metacycM:CPD-17053
OVBAGMZLGLXSBN-UOVKNHIHSA-N 		bis(methylsulfanyl)gliotoxin
BmGT
bis(methylthio)gliotoxin
bisdethiobis(methylthio)gliotoxin

seedM:M_cpd33031 		secondary/obsolete/fantasy identifier