Chondroitin sulfate
AlkaPlorer ID: AK004691
Synonym: '24967-93-9', '9082-07-9'
IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Structure
SMILES: CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](OS(=O)(=O)O)O[C@H]1O
InChI: InChI=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
InChIKey: KXKPYJOVDUMHGS-OSRGNVMNSA-N
Reference
Isolation and identification of chondroitin sulfates from the mud snail
PubChem CID: 24766
CAS: 9007-28-7
LOTUS: LTS0269032
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cipangopaludina chinensis | Cipangopaludina | Viviparidae | Architaenioglossa | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 463.3700000000001
TPSA？: 262.3299999999999
MolLogP？: -4.536199999999992
Number of H-Donors: 8
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| dengue virus type 2 | dengue virus type 2 | EC50 | 1.5 | ug.mL-1 | 10.1016/j.ejmech.2021.113527 |