CHEBI:166476 - 2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid
ChEBI ID CHEBI:166476
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H13NO4S
Net Charge 0
Average Mass 207.240
Monoisotopic Mass 207.05653
InChI InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)
InChIKey XHZPRMZZQOIPDS-UHFFFAOYSA-N
SMILES S(O)(=O)(=O)CC(NC(=O)C=C)(C)C
ChEBI Ontology
Outgoing 2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid (CHEBI:166476) is a organosulfonic acid (CHEBI:33551)
IUPAC Name
2-methyl-2-(prop-2-enoylamino)propane-1-sulonic acid
Manual Xrefs Databases
58836 ChemSpider
HMDB0031200 HMDB
View more database links
Registry Number Type Source
15214-89-8 CAS Registry Number ChemIDplus