Back to Compounds

Showing Compound N-Sulfo-D-glucosamine (FDB022646)

Record Information
Version1.0
Creation date2011-09-21 00:17:23 UTC
Update date2015-07-21 06:57:17 UTC
Primary IDFDB022646
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameN-Sulfo-D-glucosamine
DescriptionN-Sulfo-D-glucosamine belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. N-Sulfo-D-glucosamine is an extremely weak basic (essentially neutral) compound (based on its pKa).
CAS Number909257-48-3
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
N-SulphO-D-glucosamineGenerator
N-[(2R,3R,4R,5S,6R)-2,4,5-Trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamateHMDB
N-[(2R,3R,4R,5S,6R)-2,4,5-Trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulphamateHMDB
N-[(2R,3R,4R,5S,6R)-2,4,5-Trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulphamic acidHMDB
N-Sulfo-D-glucosaminehmdb
Predicted PropertiesNot Available
Chemical FormulaC6H13NO8S
IUPAC name
InChI IdentifierInChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6-/m1/s1
InChI KeyPRDZVHCOEWJPOB-QZABAPFNSA-N
Isomeric SMILESOC[C@H]1O[C@@H](O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@@H]1O
Average Molecular Weight259.234
Monoisotopic Molecular Weight259.036187087
Classification
Description Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Sulfuric acid monoamide
  • Oxane
  • Organic sulfuric acid or derivatives
  • Hemiacetal
  • Secondary alcohol
  • Oxacycle
  • Polyol
  • Organoheterocyclic compound
  • Alcohol
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Primary alcohol
  • Organic nitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location:

Source:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSN-Sulfo-D-glucosamine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0a4u-4940000000-f1177df811aad3e60337Spectrum
Predicted GC-MSN-Sulfo-D-glucosamine, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-00e9-7139450000-622c5d01b8aa44f9d597Spectrum
Predicted GC-MSN-Sulfo-D-glucosamine, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Sulfo-D-glucosamine, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-1930000000-d8f58b6b8e1db71d7ce02017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03dl-1950000000-1148cfb329ec18207ca22017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000g-9400000000-9e0348d47c4f10432e412017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-052r-9140000000-d89f189e462284b97b522017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-01qd-9840000000-9d6931881edf0f15d0672017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0032-9000000000-3254059c9b10d5a0b8d22017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03dl-0090000000-54ffc944000a5345d13c2021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-1090000000-9eaf3bb8495c68cf3a092021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01ot-9200000000-326ccfacfba871aef6872021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0290000000-ef8bde620f332acddf802021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9830000000-ab1b091e0b74f46dbd592021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9100000000-3f99ccf5f9eedc58f1562021-09-24View Spectrum
NMRNot Available
ChemSpider ID388505
ChEMBL IDNot Available
KEGG Compound IDC01075
Pubchem Compound ID439388
Pubchem Substance IDNot Available
ChEBI ID16702
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB01481
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference