Showing metabocard for Cyclamic acid (BMDB0063670)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-02-10 19:45:31 UTC
Update Date2020-05-11 22:39:35 UTC
BMDB IDBMDB0063670
Secondary Accession Numbers
  • BMDB63670
Metabolite Identification
Common NameCyclamic acid
DescriptionCyclamic acid, also known as cyclamate or sucaryl acid, belongs to the class of organic compounds known as cyclamates. Cyclamates are compounds containing a cyclohexylsulfamic acid moiety. Based on a literature review a significant number of articles have been published on Cyclamic acid.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
Cyclohexylamide sulfateChEBI
Cyclohexylaminesulphonic acidChEBI
CyclohexylsulfamateChEBI
Cylamic acidChEBI
Cyclohexylsulfamic acidKegg
Hexamic acidKegg
Cyclohexylamide sulfuric acidGenerator
Cyclohexylamide sulphateGenerator
Cyclohexylamide sulphuric acidGenerator
CyclohexylaminesulfonateGenerator
Cyclohexylaminesulfonic acidGenerator
CyclohexylaminesulphonateGenerator
CyclohexylsulphamateGenerator
Cyclohexylsulphamic acidGenerator
CylamateGenerator
HexamateGenerator
CyclamateGenerator
AsugrynHMDB
Cyclamic acid, ban, usanHMDB
Cyclohexanesulfamic acidHMDB
Cyclohexanesulphamic acidHMDB
Cyclohexyl-sulfamic acidHMDB
Cyclohexylamidosulfuric acidHMDB
Cyclohexylamidosulphuric acidHMDB
Cyclohexylamine sulfamic acidHMDB
Cyclohexylamine-N-sulfonic acidHMDB
e952HMDB
N-Cyclohexyl-sulfamic acidHMDB
N-Cyclohexyl-sulfuric acid monoamideHMDB
N-Cyclohexylsulfamic acidHMDB
N-Cyclohexylsulphamic acidHMDB
Polycat 200HMDB
Sucaryl acidHMDB
Sucaryl acidxineHMDB
Cyclamate calcium (2:1) saltHMDB
Cyclamate, calcium (2:1) salt, dihydrateHMDB
Cyclamate, sodium saltHMDB
CyclamatesHMDB
Calcium cyclamateHMDB
Cyclamate, calciumHMDB
Cyclamate, sodiumHMDB
Sodium cyclamateHMDB
Cyclamate, potassiumHMDB
Potassium cyclamateHMDB
Cyclamic acidMeSH
Chemical FormulaC6H13NO3S
Average Molecular Weight179.237
Monoisotopic Molecular Weight179.061613977
IUPAC NameN-cyclohexylsulfamic acid
Traditional Namecyclamate
CAS Registry NumberNot Available
SMILES
OS(=O)(=O)NC1CCCCC1
InChI Identifier
InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)
InChI KeyHCAJEUSONLESMK-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as cyclamates. Cyclamates are compounds containing a cyclohexylsulfamic acid moiety.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassSulfamic acid derivatives
Sub ClassCyclamates
Direct ParentCyclamates
Alternative Parents
Substituents
  • Cyclamic_acid_derivative
  • Sulfuric acid monoamide
  • Organic sulfuric acid or derivatives
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Ontology
StatusDetected but not Quantified
Origin
  • Endogenous
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.2ALOGPS
logP0.61ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)-0.83ChemAxon
pKa (Strongest Basic)-9.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.4 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity41.22 m³·mol⁻¹ChemAxon
Polarizability17.69 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Liver
  • Ruminal Fluid
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Ruminal FluidDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0031340
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB009257
KNApSAcK IDNot Available
Chemspider ID7252
KEGG Compound IDC02824
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCyclamic_acid
METLIN IDNot Available
PubChem Compound7533
PDB IDNot Available
ChEBI ID15964
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available