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

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hypotaurine

	Properties	Image
MNX_ID	MNXM726
reference	chebi:57853
formula	C₂H₇NO₂S
global charge	0
mol weight	109.15
InChIKey	VVIUBCNYACGLLV-UHFFFAOYSA-N
InChI	InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)
SMILES	[NH3+]CCS(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)
SMILES (mnx)	[CH2:1]([CH2:2][S:6]([OH:4])=[O:5])[NH2:3]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	13

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-1655445 reactomeM:R-ALL-1655445 CHEBI:57853 chebi:57853 VVIUBCNYACGLLV-UHFFFAOYSA-N	hypotaurine 2-ammonioethanesulfinate 2-azaniumylethane-1-sulfinate 2-azaniumylethanesulfinate 2-mmonioethane-1-sulfinate hypotaurine zwitterion
hmdb:HMDB0000965 VVIUBCNYACGLLV-UHFFFAOYSA-N	Hypotaurine 2-Amino-ethanesulfinate 2-Amino-ethanesulfinic acid 2-Aminoethanesulfinate 2-Aminoethanesulfinic acid 2-Aminoethanesulphinate 2-Aminoethanesulphinic acid 2-Aminoethylsulfinate 2-Aminoethylsulfinic acid 2-aminoethane-1-sulfinic acid Cystaminesulfinate Cystaminesulfinic acid hypotaurine
bigg.metabolite:hyptaur biggM:hyptaur sabiork.compound:5127 sabiorkM:5127 kegg.compound:C00519 keggC:C00519 VVIUBCNYACGLLV-UHFFFAOYSA-N	Hypotaurine 2-Aminoethanesulfinic acid
seed.compound:cpd00406 seedM:cpd00406 VVIUBCNYACGLLV-UHFFFAOYSA-N	Hypotaurine 2-Aminoethanesulfinic acid Ethanesulfinic acid, 2-amino- hypotaurine
vmhM:hyptaur vmhmetabolite:hyptaur VVIUBCNYACGLLV-UHFFFAOYSA-N	Hypotaurine 2-aminoethane-1-sulfinic acid
CHEBI:140741 chebi:140741 VVIUBCNYACGLLV-UHFFFAOYSA-M	hypotaurine(1-) 2-aminoethanesulfinate
CHEBI:16668 chebi:16668 VVIUBCNYACGLLV-UHFFFAOYSA-N	hypotaurine 2-Aminoethanesulfinic acid 2-aminoethanesulfinic acid Hypotaurine
metacyc.compound:HYPOTAURINE metacycM:HYPOTAURINE VVIUBCNYACGLLV-UHFFFAOYSA-N	hypotaurine Ethanesulfinic acid, 2-amino-
hmdb:HMDB00965 chebi:14429 chebi:24760 chebi:5839 biggM:M_hyptaur keggC:M_C00519 seedM:M_cpd00406 vmhM:M_hyptaur	secondary/obsolete/fantasy identifier