Chondroitin sulfate (CED0001355)

Record Information
Version1.0
Creation Date2016-05-26 05:19:32 UTC
Update Date2026-04-14 17:42:28 UTC
SynCED IDCED0001355
Secondary Accession Numbers
  • CHEM034912
Identification
Common NameChondroitin sulfate
ClassSmall Molecule
Description
Chondroitin sulfate is an organic compound with the formula C13H21NO15S and an average molecular weight of 463.37 g/mol. Chondroitin sulfate belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. Industrially, the substance is utilized as a nutrient and a flavouring agent. The compound is found in several recorded sources, including ceilings and floors within building and construction, as well as antiinflammatory and antirheumatic products used in healthcare, pharmaceuticals, and veterinary medicine. Recorded routes of exposure include topical and oral administration. Chondroitin sulfate interacts with four recorded protein targets: the precursor form of the neurotrophic factor BDNF, the glial cell line-derived neurotrophic factor (GDNF), the long form of vascular endothelial growth factor A (VEGFA), and C-C motif chemokine 2 (CCL2).
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
Chondroitin sulfuric acidGenerator
Chondroitin sulphateGenerator
Chondroitin sulphuric acidGenerator
ChondritinsulfateHMDB
ChondritinsulphateHMDB
Chondroitin 6-sulfateHMDB
Chondroitin 6-sulphateHMDB
Chondroitin polysulfateHMDB
Chondroitin polysulphateHMDB
Chondroitin sodium sulfate ex sharkHMDB
Chondroitin sulfate CHMDB
Chondroitin sulfate from swineHMDB
Chondroitin sulphate CHMDB
Chondroitin sulphate from swineHMDB
ChondroitinsulfurateHMDB
Chondroitinsulfuric acidHMDB
Chondroitinsulfuric acidsHMDB
BlutalHMDB
Chondroitin 4 sulfate, aluminum saltHMDB
Chondroitin 4-sulfate, aluminum saltHMDB
Chondroitin 6 sulfate, potassium saltHMDB
Chondroitin 6 sulfate, sodium saltHMDB
Chondroitin sulfate aHMDB
Sulfate, sodium chondroitinHMDB
Chondroitin 4-sulfate, potassium saltHMDB
Chondroitin 6-sulfate, potassium saltHMDB
Chondroitin sulfate 4 sulfate, sodium saltHMDB
Chondroitin sulfate, calcium saltHMDB
Chondroitin sulfate, iron (+3) saltHMDB
Chondroitin sulfate, iron saltHMDB
Chondroitin sulfate, potassium saltHMDB
Sulfate, chondroitinHMDB
TranslagenHMDB
Chondroitin 4-sulfateHMDB
Chondroitin 6 sulfateHMDB
Chondroitin sulfate, sodiumHMDB
Chondroitin sulfate, sodium saltHMDB
ChonsuridHMDB
Sulfates, chondroitinHMDB
Chondroitin 4 sulfateHMDB
Chondroitin 4 sulfate, potassium saltHMDB
Chondroitin 6-sulfate, sodium saltHMDB
Chondroitin sulfate 4-sulfate, sodium saltHMDB
Chondroitin sulfate, zinc saltHMDB
Chondroitin sulfatesHMDB
Sodium chondroitin sulfateHMDB
(2S,3S,4S,5R,6R)-6-{[(2R,3R,4R,5R,6R)-2,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateHMDB
(2S,3S,4S,5R,6R)-6-{[(2R,3R,4R,5R,6R)-2,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(sulphooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateHMDB
(2S,3S,4S,5R,6R)-6-{[(2R,3R,4R,5R,6R)-2,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(sulphooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidHMDB
Chondroitin sulfateMeSH
Chemical FormulaC13H21NO15S
Average Molecular Mass463.369 g/mol
Monoisotopic Mass463.063 g/mol
CAS Registry Number9007-28-7
IUPAC Name(2S,3S,4S,5R,6R)-6-{[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6R)-6-{[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESCC(=O)N[C@H]1[C@H](O)O[C@H](OS(O)(=O)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
InChI IdentifierInChI=1S/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)/t3-,4+,5+,6-,7-,8-,9+,11-,12-,13-/m1/s1
InChI KeyKXKPYJOVDUMHGS-OSRGNVMNSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glucuronides
Alternative Parents
Substituents
  • 1-o-glucuronide
  • O-glucuronide
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Beta-hydroxy acid
  • Hydroxy acid
  • Oxane
  • Pyran
  • Sulfuric acid monoester
  • Sulfate-ester
  • Alkyl sulfate
  • Sulfuric acid ester
  • Acetamide
  • Organic sulfuric acid or derivatives
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Acetal
  • Carboxylic acid
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Polyol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organonitrogen compound
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility57.1 g/LALOGPS
logP-1.2ALOGPS
logP-6.2ChemAxon
logS-0.91ALOGPS
pKa (Strongest Acidic)-1.9ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area258.84 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity84.36 m³·mol⁻¹ChemAxon
Polarizability38.83 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0092-9226600000-e2926cb2b441d0248b48Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-044i-3432219000-e93cc29262ee63b4076eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0072-3070900000-6cd9ea60eef6ed5da8c8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0072-4190100000-6ea91dbda6c60562111bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01oy-8970100000-1b323176cc14d43c8b60Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0bt9-1679500000-d14d4a02aa564400ce03Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ldr-6795500000-cd3b52d1aebf380af91fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0pb9-9520000000-ab046b753ab8b0981c85Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
7165.0 Log mg/kg [4000:13000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
cancerNot AvailableNot AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC7230273
osteoporosisNot AvailableNot AvailableA disorder characterized by reduced bone mass, with a decrease in cortical thickness and in the number and size of the trabeculae of cancellous bone (but normal chemical composition), resulting in increased fracture incidence. (NCI CTCAE)PMC7230273
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000363Antiinflammatory and antirheumatic products?Anti-inflammatory and antirheumatic products are synthetic chemicals commonly used to alleviate pain, reduce inflammation, and manage conditions such as arthritis.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000495Ceilings?Ceilings in built environments can be a source of synthetic chemical contamination due to the materials used in their construction and finishes.Building & ConstructionPubChem
CEDs000497Floors?Floors in built environments can be a significant source of synthetic chemical contamination due to the materials and finishes used in their construction.Building & ConstructionPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000699Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.Mining & metal processingPubChem
CEDs000730Contact Lens Cases?Contact lens cases are small containers designed to store contact lenses in a sterile environment, typically made from various synthetic materials including plastics such as polypropylene or polycarbonate.Healthcare, pharmaceuticals & veterinary productsPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
C-type lectin domain family 4 member K structureClick to view 3D structureC-type lectin domain family 4 member KQ9UJ71HumansKnownNot Available
Neurotrophic factor BDNF precursor form structureClick to view 3D structureNeurotrophic factor BDNF precursor formP23560HumansPredicted (SEA)
Prediction Confidence Score
0.474
Applicability Domain
0.474
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Pleiotrophin structureClick to view 3D structurePleiotrophinP21246HumansPredicted (SEA)
Prediction Confidence Score
0.474
Applicability Domain
0.474
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)
Prediction Confidence Score
0.468
Applicability Domain
0.468
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
CD44 antigen structureClick to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)
Prediction Confidence Score
0.468
Applicability Domain
0.468
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Endopolygalactyuronase structureClick to view 3D structureEndopolygalactyuronaseP79074Chondrostereum purpureumPredicted (SEA)
Prediction Confidence Score
0.393
Applicability Domain
0.393
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Bone morphogenetic protein 6 structureClick to view 3D structureBone morphogenetic protein 6P22004HumansPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.33
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Platelet factor 4 structureClick to view 3D structurePlatelet factor 4P02776HumansPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.33
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Click to view 3D structureN-acetyllactosaminide alpha-1,3-galactosyltransferaseP50127Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.32
Statistical Significance
2.30e-04
Supporting Reference Compounds
1
E-value
1.79053
Midkine structureClick to view 3D structureMidkineP21741HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.474
Statistical Significance
4.00e-05
Supporting Reference Compounds
3
E-value
0.311397
Interferon gamma structureClick to view 3D structureInterferon gammaP01579HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.33
Statistical Significance
9.00e-05
Supporting Reference Compounds
2
E-value
0.700643
Click to view 3D structureE-selectinP98105Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.265 Low confidence
Statistical Significance
1.30e-04
Supporting Reference Compounds
1
E-value
1.01204
Click to view 3D structureSolute carrier organic anion transporter family member 1B2Q9QZX8Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.261 Low confidence
Statistical Significance
4.60e-04
Supporting Reference Compounds
1
E-value
3.58106
Click to view 3D structureATP-binding cassette sub-family C member 3O88563Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
4.70e-04
Supporting Reference Compounds
1
E-value
3.65891
Click to view 3D structureMultidrug resistance associated proteinQ96QA9Homo sapiensPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
4.70e-04
Supporting Reference Compounds
1
E-value
3.65891
Click to view 3D structureNiemann-Pick C1-like 1 proteinA0MJA4Canis lupus familiarisPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.245 Low confidence
Statistical Significance
1.30e-04
Supporting Reference Compounds
1
E-value
1.01204
Click to view 3D structureNiemann-Pick C1-like 1 proteinA0MJA5Macaca mulattaPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.245 Low confidence
Statistical Significance
1.30e-04
Supporting Reference Compounds
1
E-value
1.01204
Alpha-L-iduronidase structureClick to view 3D structureAlpha-L-iduronidaseP35475HumansPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.243 Low confidence
Statistical Significance
8.70e-04
Supporting Reference Compounds
1
E-value
6.77288
Click to view 3D structureCMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1P54751Mus musculusPredicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.235 Low confidence
Statistical Significance
6.80e-04
Supporting Reference Compounds
1
E-value
5.29375
Asialoglycoprotein receptor 1 structureClick to view 3D structureAsialoglycoprotein receptor 1P07306HumansPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.234 Low confidence
Statistical Significance
1.60e-04
Supporting Reference Compounds
1
E-value
1.24559
Click to view 3D structureKiller cell lectin-like receptor subfamily B member 1AP27471Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.304
Statistical Significance
6.80e-04
Supporting Reference Compounds
2
E-value
5.29375
ATP-binding cassette sub-family C member 2 structureClick to view 3D structureATP-binding cassette sub-family C member 2Q63120Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.261 Low confidence
Statistical Significance
3.20e-04
Supporting Reference Compounds
12
E-value
2.49118
Sialic acid-binding Ig-like lectin 7 structureClick to view 3D structureSialic acid-binding Ig-like lectin 7Q9Y286HumansPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.229 Low confidence
Statistical Significance
1.90e-04
Supporting Reference Compounds
1
E-value
1.47914
Click to view 3D structureNeuraminidaseB4URF0Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.239 Low confidence
Statistical Significance
0.0058
Supporting Reference Compounds
42
E-value
45.4639
Click to view 3D structureAlpha-amylaseQ7M328Sus scrofa domesticusPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.221 Low confidence
Statistical Significance
4.60e-04
Supporting Reference Compounds
1
E-value
3.58106
Neuraminidase structureClick to view 3D structureNeuraminidaseQ3S340Influenza B virusPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.239 Low confidence
Statistical Significance
2.70e-04
Supporting Reference Compounds
4
E-value
2.10193
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0000580
FooDB IDFDB022127
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN ID5562
PDB IDNot Available
Wikipedia LinkChondroitin sulfate
Chemspider ID23152
ChEBI ID37397
PubChem Compound ID24766
Kegg Compound IDC00607
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available