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gliotoxin

MNXM55075 is deprecated and here replaced by MNXM1107495
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107495 Image of MNXM1107495
referencechebi:5385
formulaC13H14N2O4S2
global charge0
mol weight326.399
InChIKeyFIVPIPIDMRVLAY-RBJBARPLSA-N
InChIInChI=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
SMILESCN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1107495
SMILES (mnx)[CH3:1][N:14]1[C:10](=[O:18])[C@:12]23[CH2:5][C:7]4=[CH:3][CH:2]=[CH:4][C@H:8]([OH:17])[C@H:9]4[N:15]2[C:11](=[O:19])[C@@:13]1([CH2:6][OH:16])[S:21][S:20]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:5385
chebi:5385
FIVPIPIDMRVLAY-RBJBARPLSA-N 		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
FIVPIPIDMRVLAY-RBJBARPLSA-N 		Gliotoxin
hmdb:HMDB0252746
FIVPIPIDMRVLAY-UHFFFAOYSA-N 		Gliotoxin
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
gliotoxin

seed.compound:cpd07481
seedM:cpd07481
FIVPIPIDMRVLAY-RBJBARPLSA-N 		Glitoxin
Gliotoxin

keggC:M_C10595
seedM:M_cpd07481 		secondary/obsolete/fantasy identifier