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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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gliotoxin
Properties
Image
Occurences in reactions
MNX_ID
MNXM1107496
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
0
formula
C
13
H
14
N
2
O
4
S
2
charge
0
mass
326.0395
reference
metacycM:CPD-17052
InChIKey
FIVPIPIDMRVLAY-VDUILEQBSA-N
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
SMILES
CN1C(=O)[C@@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@]1(CO)SS3
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-17052
metacycM:CPD-17052
seed.compound:cpd33741
seedM:cpd33741
gliotoxin
seedM:M_cpd33741
secondary/obsolete/fantasy identifier