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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:49:01 UTC
Update Date2022-03-07 02:53:18 UTC
HMDB IDHMDB0032295
Secondary Accession Numbers
  • HMDB32295
Metabolite Identification
Common NameGlucose isomerase from streptomyces rubiginosus
DescriptionGlucose isomerase from streptomyces rubiginosus, also known as 1-(benzenesulphonyl)-4-(2-chlorobenzoyl)piperazine, 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 Glucose isomerase from streptomyces rubiginosus.
Structure
Thumb
Synonyms
ValueSource
(2-Chlorophenyl)[4-(phenylsulfonyl)piperazin-1-yl]methanoneHMDB
1-(Benzenesulphonyl)-4-(2-chlorobenzoyl)piperazineHMDB
Chemical FormulaC17H17ClN2O3S
Average Molecular Weight364.846
Monoisotopic Molecular Weight364.064840817
IUPAC Name1-(benzenesulfonyl)-4-(2-chlorobenzoyl)piperazine
Traditional Name1-(benzenesulfonyl)-4-(2-chlorobenzoyl)piperazine
CAS Registry Number9055-00-9
SMILES
ClC1=CC=CC=C1C(=O)N1CCN(CC1)S(=O)(=O)C1=CC=CC=C1
InChI Identifier
InChI=1S/C17H17ClN2O3S/c18-16-9-5-4-8-15(16)17(21)19-10-12-20(13-11-19)24(22,23)14-6-2-1-3-7-14/h1-9H,10-13H2
InChI KeyWNQJZQMIEZWFIN-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
  • Benzenesulfonamide
  • Halobenzoic acid or derivatives
  • 2-halobenzoic acid or derivatives
  • Benzamide
  • Benzenesulfonyl group
  • Benzoic acid or derivatives
  • Benzoyl
  • Chlorobenzene
  • Halobenzene
  • Aryl chloride
  • Aryl halide
  • 1,4-diazinane
  • Piperazine
  • Organosulfonic acid amide
  • Vinylogous halide
  • Tertiary carboxylic acid amide
  • Sulfonyl
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Carboxamide group
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Azacycle
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organosulfur compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • 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
  • Cytoplasm
  • Extracellular
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 IDFDB009499
KNApSAcK IDNot Available
Chemspider ID977090
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound1151718
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). EAFUS: Everything Added to Food in the United States.. .