6-{[3-acetamido-2,5-dihydroxy-6-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
AlkaPlorer ID: AK439648
Synonym: None
IUPAC Name: 6-(3-acetamido-2,5-dihydroxy-6-sulfooxyoxan-4-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Structure
SMILES: CC(O)=NC1C(O)OC(OS(=O)(=O)O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O
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)
InChIKey: KXKPYJOVDUMHGS-UHFFFAOYSA-N
Reference
Isolation and identification of chondroitin sulfates from the mud snail
PubChem CID: 21873177
CAS: 11120-14-2
LOTUS: LTS0101091
SuperNatural Ⅲ: SN0198016-01
COCONUT: CNP0403644.1
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？: 262.33
MolLogP？: -4.536199999999994
Number of H-Donors: 8
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|