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gliotoxin

MNXM55075 is deprecated and here replaced by MNXM1107495
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107495

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₃H₁₄N₂O₄S₂

charge

mass

326.0395

reference

InChIKey

FIVPIPIDMRVLAY-RBJBARPLSA-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
CHEBI:5385 chebi:5385	gliotoxin (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
kegg.compound:C10595 keggC:C10595	Gliotoxin
seed.compound:cpd07481 seedM:cpd07481	Glitoxin Gliotoxin
keggC:M_C10595 seedM:M_cpd07481	secondary/obsolete/fantasy identifier