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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:50:18 UTC
Update Date2022-03-07 02:53:22 UTC
HMDB IDHMDB0032529
Secondary Accession Numbers
  • HMDB32529
Metabolite Identification
Common NameThaumatin b, recombinant
DescriptionThaumatin b, recombinant belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. Based on a literature review very few articles have been published on Thaumatin b, recombinant.
Structure
Thumb
Synonyms
ValueSource
N-{4-[(4-cycloheptylpiperazin-1-yl)sulfonyl]phenyl}ethanimidateHMDB
N-{4-[(4-cycloheptylpiperazin-1-yl)sulphonyl]phenyl}ethanimidateHMDB
N-{4-[(4-cycloheptylpiperazin-1-yl)sulphonyl]phenyl}ethanimidic acidHMDB
Chemical FormulaC19H29N3O3S
Average Molecular Weight379.517
Monoisotopic Molecular Weight379.192962499
IUPAC NameN-{4-[(4-cycloheptylpiperazin-1-yl)sulfonyl]phenyl}acetamide
Traditional NameN-[4-(4-cycloheptylpiperazin-1-ylsulfonyl)phenyl]acetamide
CAS Registry Number53850-34-3
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)C1CCCCCC1
InChI Identifier
InChI=1S/C19H29N3O3S/c1-16(23)20-17-8-10-19(11-9-17)26(24,25)22-14-12-21(13-15-22)18-6-4-2-3-5-7-18/h8-11,18H,2-7,12-15H2,1H3,(H,20,23)
InChI KeyIVPOQXWRUMMORK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzenesulfonamides
Direct ParentBenzenesulfonamides
Alternative Parents
Substituents
  • Acetanilide
  • Benzenesulfonamide
  • N-acetylarylamine
  • Benzenesulfonyl group
  • Anilide
  • N-arylamide
  • N-alkylpiperazine
  • 1,4-diazinane
  • Piperazine
  • Organosulfonic acid amide
  • Acetamide
  • Sulfonyl
  • Organosulfonic acid or derivatives
  • Organic sulfonic acid or derivatives
  • Tertiary aliphatic amine
  • Tertiary amine
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Organoheterocyclic compound
  • Azacycle
  • Carboxylic acid derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Organosulfur compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB010383
KNApSAcK IDNot Available
Chemspider ID977178
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound1151816
PDB IDNot Available
ChEBI ID175005
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1037751
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). EAFUS: Everything Added to Food in the United States.. .