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CHEBI:18296 - chondroitin 6'-sulfate

ChEBI IDCHEBI:18296
ChEBI Namechondroitin 6'-sulfate
Stars
DefinitionA chondroitin sulfate in which the site of sulfation is carbon 6 of the N-acetylgalactosamine (GalNAc) sugar.
Secondary ChEBI IDsCHEBI:3675, CHEBI:13991, CHEBI:23223
Last Modified16 September 2016
DownloadsMolfile
Formula(C14H21NO14S)n.H2O
Net Charge0
Average Mass477.397
Monoisotopic Mass477.07884
SMILES[H]O[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](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/C14H23NO15S/c1-3(16)15-5-10(6(17)4(28-13(5)23)2-27-31(24,25)26)29-14-9(20)7(18)8(19)11(30-14)12(21)22/h4-11,13-14,17-20,23H,2H2,1H3,(H,15,16)(H,21,22)(H,24,25,26)/t4-,5-,6+,7+,8+,9-,10-,11+,13-,14-/m1/s1
InChIKeyHMCUNCSRFXXUOR-YHCGEDBISA-N
ChEBI Ontology
Outgoing Relation(s)
chondroitin 6'-sulfate (CHEBI:18296) is a chondroitin sulfate (CHEBI:37397)
chondroitin 6'-sulfate (CHEBI:18296) is conjugate acid of chondroitin 6'-sulfate anion (CHEBI:62065)
Incoming Relation(s)
schreckstoff (CHEBI:133299) has part chondroitin 6'-sulfate (CHEBI:18296)
chondroitin 6'-sulfate anion (CHEBI:62065) is conjugate base of chondroitin 6'-sulfate (CHEBI:18296)
Synonyms  Source
Chondroitin 6-sulfateKEGG COMPOUND
Chondroitin sulfate CKEGG COMPOUND
Chondroitin 6'-sulfateKEGG COMPOUND
chondroitin 6'-sulfateChEBI
chondroitin 6-(hydrogen sulfate)ChemIDplus
Manual XrefsDatabases
C00635KEGG COMPOUND
Chondroitin-Sulfate-CMetaCyc
Registry NumbersSources
Reaxys:11312765Reaxys
Reaxys:9896922Reaxys
CAS:25322-46-7KEGG COMPOUND
CAS:25322-46-7ChemIDplus
Citations