chondroitin Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central PubChem

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Chemistry

Mol. Mass

531.53

ALogP

-4.44

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(=O)N[C@@H]1[C@@H](COC[C@@H]2O[C@H](C(=O)O)[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](CS(=O)(=O)O)[C@@H](CO)O[C@H]1CO
  • InChIKey: OAEOAAHCJGWJIC-CEVJMMQXSA-N
    InChI=1S/C19H33NO14S/c1-8(24)20-15-10(11(7-35(29,30)31)12(3-22)33-13(15)4-23)5-32-6-14-17(26)16(25)9(2-21)18(34-14)19(27)28/h9-18,21-23,25-26H,2-7H2,1H3,(H,20,24)(H,27,28)(H,29,30,31)/t9-,10-,11+,12+,13-,14-,15+,16-,17-,18-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2108922   ChEMBL
chondroitin sulfate sodium

CHEMBL2303614   ChEMBL
chondroitin sulfate

Chondroitin   Wikipedia

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