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

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sulfoacetaldehyde

	Properties	Image
MNX_ID	MNXM434
reference	chebi:58246
formula	C₂H₃O₄S
global charge	-1
mol weight	123.109
InChIKey	JTJIXCMSHWPJJE-UHFFFAOYSA-M
InChI	InChI=1S/C2H4O4S/c3-1-2-7(4,5)6/h1H,2H2,(H,4,5,6)/p-1
SMILES	O=CCS(=O)(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C2H4O4S/c3-1-2-7(4,5)6/h1H,2H2,(H,4,5,6)
SMILES (mnx)	[CH:1]([CH2:2][S:7]([OH:4])(=[O:5])=[O:6])=[O:3]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	25
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58246 chebi:58246 JTJIXCMSHWPJJE-UHFFFAOYSA-M	sulfoacetaldehyde 2-oxoethane-1-sulfonate 2-oxoethanesulfonate sulfonatoacetaldehyde sulfonatoacetaldehyde anion sulfonatoacetaldehyde(1-)
bigg.metabolite:2saa biggM:2saa	2-sulfoacetaldehyde
envipath:...6728cc11c344 envipathM:...6728cc11c344 vmhM:sacald vmhmetabolite:sacald JTJIXCMSHWPJJE-UHFFFAOYSA-M	Sulfoacetaldehyde
kegg.compound:C00593 keggC:C00593 JTJIXCMSHWPJJE-UHFFFAOYSA-N	Sulfoacetaldehyde 2-Oxoethanesulfonate 2-Sulfoacetaldehyde
sabiork.compound:2110 sabiorkM:2110 JTJIXCMSHWPJJE-UHFFFAOYSA-N	Sulfoacetaldehyde 2-Sulfoacetaldehyde
seed.compound:cpd00460 seedM:cpd00460 JTJIXCMSHWPJJE-UHFFFAOYSA-M	Sulfoacetaldehyde 2-Sulfoacetaldehyde 2-oxo-ethanesulfonate 2-sulfoacetaldehyde 2saa sulfoacetaldehyde
envipath:...a69acfc93f03 envipathM:...a69acfc93f03 JTJIXCMSHWPJJE-UHFFFAOYSA-M	compound 0059998
CHEBI:17717 chebi:17717 JTJIXCMSHWPJJE-UHFFFAOYSA-N	sulfoacetaldehyde 2-Sulfoacetaldehyde 2-oxoethanesulfonic acid Sulfoacetaldehyde
metacyc.compound:SULFOACETALDEHYDE metacycM:SULFOACETALDEHYDE JTJIXCMSHWPJJE-UHFFFAOYSA-M	sulfoacetaldehyde 2-oxo-ethanesulfonate 2-sulfoacetaldehyde
chebi:11657 chebi:15140 chebi:26824 chebi:9345 biggM:M_2saa keggC:M_C00593 seedM:M_cpd00460 vmhM:M_sacald	secondary/obsolete/fantasy identifier