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

Feedback

3-aminopropanesulfonic acid

	Properties	Image
MNX_ID	MNXM11828
reference	chebi:1457
formula	C₃H₉NO₃S
global charge	0
mol weight	139.176
InChIKey	SNKZJIOFVMKAOJ-UHFFFAOYSA-N
InChI	InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)
SMILES	NCCCS(=O)(=O)O

MNX internals

InChI (mnx)	InChI=1/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)
SMILES (mnx)	[CH2:1]([CH2:2][NH2:4])[CH2:3][S:8]([OH:5])(=[O:6])=[O:7]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:1457 chebi:1457 SNKZJIOFVMKAOJ-UHFFFAOYSA-N	3-aminopropanesulfonic acid 3-amino-1-propanesulfonic acid 3-aminopropane-1-sulfonic acid 3-aminopropiosulfonic acid 3-sulfopropylamine gamma-aminopropylsulfonic acid homotaurine tramiprosate tramiprosato tramiprosatum
kegg.compound:C03349 keggC:C03349 SNKZJIOFVMKAOJ-UHFFFAOYSA-N	3-Aminopropanesulfonate 3-Amino-1-propanesulfonic acid
seed.compound:cpd02128 seedM:cpd02128 SNKZJIOFVMKAOJ-UHFFFAOYSA-N	3-Aminopropanesulfonate 3-Amino-1-propanesulfonic acid 3-aminopropanesulfonate 3-aminopropanesulfonic acid 3-aminopropanesulphonic acid Alzhemed Cerebril Tramiprosate homotaurine
CHEBI:194495 chebi:194495 SNKZJIOFVMKAOJ-UHFFFAOYSA-N	3-aminopropane sulfonate 3-aminopropanesulfonic acid zwitterion 3-ammoniopropane-1-sulfonate 3-azaniumylpropane-1-sulfonate
kegg.drug:D06202 keggD:D06202 SNKZJIOFVMKAOJ-UHFFFAOYSA-N	Tramiprosate (USAN) 3-Amino-1-propanesulfonic acid 3APS
hmdb:HMDB0253211 SNKZJIOFVMKAOJ-UHFFFAOYSA-N	Tramiprosate 3-APS 3-Amino-1-propanesulfonate 3-Amino-1-propanesulfonic acid 3-Amino-1-propanesulphonate 3-Amino-1-propanesulphonic acid 3-Aminopropane-1-sulfonate 3-Aminopropane-1-sulphonate 3-Aminopropane-1-sulphonic acid 3-Aminopropanesulfonic acid 3-Aminopropylsulfonic acid 3-aminopropane-1-sulfonic acid 3APS Tramiprosic acid homotaurine
metacyc.compound:CPD-11725 metacycM:CPD-11725 SNKZJIOFVMKAOJ-UHFFFAOYSA-N	homotaurine 3-aminopropanesulfonate 3-aminopropanesulfonic acid 3-aminopropanesulphonic acid Alzhemed Cerebril Tramiprosate
keggC:M_C03349 keggD:M_D06202 seedM:M_cpd02128	secondary/obsolete/fantasy identifier