MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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ethionamide

	Properties	Image
MNX_ID	MNXM11526
reference	chebi:4885
formula	C₈H₁₀N₂S
global charge	0
mol weight	166.249
InChIKey	AEOCXXJPGCBFJA-UHFFFAOYSA-N
InChI	InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
SMILES	CCC1=CC(C(N)=S)=CC=N1

MNX internals

InChI (mnx)	InChI=1/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
SMILES (mnx)	[CH3:1][CH2:2][C:7]1=[N:10][CH:4]=[CH:3][C:6]([C:8](=[NH:9])[SH:11])=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4885 chebi:4885 AEOCXXJPGCBFJA-UHFFFAOYSA-N	ethionamide 2-ethyl-4-thiopyridylamide 2-ethylpyridine-4-carbothioamide ETH ETP Ethinamide Ethionamide Ethioniamide Ethylisothiamide Ethyonomide Etionamid Etionamide Etioniamid Trecator ethionamidum etionamida
kegg.compound:C07665 keggC:C07665 AEOCXXJPGCBFJA-UHFFFAOYSA-N	Ethionamide
kegg.drug:D00591 keggD:D00591 AEOCXXJPGCBFJA-UHFFFAOYSA-N	Ethionamide (JP18/USP/INN) ABBR ETO Trecator (TN)
hmdb:HMDB0014747 AEOCXXJPGCBFJA-UHFFFAOYSA-N	Ethionamide 2-Ethyl-4-thiopyridylamide 2-ethylpyridine-4-carbothioamide ABBR eto Amidazine ETH ETP Ethinamide Ethionamid prothionamid Ethionamidum Ethioniamide Ethylisothiamide Ethyonomide Etionamid Etionamida Etionamide Etioniamid Trecator Trecator SC Trecator-SC Wyeth brand OF ethionamide ethionamide
sabiork.compound:9769 sabiorkM:9769 AEOCXXJPGCBFJA-UHFFFAOYSA-N	Ethionamide 2-Ethylpyridine-4-carbothioamide
seed.compound:cpd04826 seedM:cpd04826 AEOCXXJPGCBFJA-UHFFFAOYSA-N	Ethionamide 2-ethyl-4-thiopyridylamide ethionamide
metacyc.compound:CPD-19988 metacycM:CPD-19988 AEOCXXJPGCBFJA-UHFFFAOYSA-N	ethionamide 2-ethyl-4-thiopyridylamide
hmdb:HMDB14747 keggC:M_C07665 keggD:M_D00591 seedM:M_cpd04826	secondary/obsolete/fantasy identifier