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CHEBI:138121 - dermatan 4',6'-disulfate anion

ChEBI IDCHEBI:138121
ChEBI Namedermatan 4',6'-disulfate anion
Stars
DefinitionA polysaccharide acid oxoanion arising from global deprotonation of the carboxylic and sulfonic acid groups of the repeating units in dermatan 4',6'-disulfate; major species at pH 7.3.
Last Modified23 October 2017
SubmitterAnne Morgat
DownloadsMolfile
Formula(C14H18NO17S2)n.H2O
Net Charge-3
Average Mass554.437
Monoisotopic Mass554.01383
SMILES[H]O[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O
InChIInChI=1S/C14H23NO18S2/c1-3(16)15-5-10(31-14-8(19)6(17)7(18)11(32-14)12(20)21)9(33-35(26,27)28)4(30-13(5)22)2-29-34(23,24)25/h4-11,13-14,17-19,22H,2H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)(H,26,27,28)/p-3/t4-,5-,6+,7+,8-,9+,10-,11-,13-,14-/m1/s1
InChIKeyYMRGBHXQASMOMH-FWMKGIEWSA-K
ChEBI Ontology
Outgoing Relation(s)
dermatan 4',6'-disulfate anion (CHEBI:138121) has functional parent dermatan 6'-sulfate anion (CHEBI:60055)
dermatan 4',6'-disulfate anion (CHEBI:138121) has functional parent dermatan sulfate polyanion (CHEBI:58465)
dermatan 4',6'-disulfate anion (CHEBI:138121) is a polysaccharide acid oxoanion (CHEBI:62196)
UniProt Name  Source
dermatan 4',6'-disulfateUniProt
Citations