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CHEBI:18250 - chondroitin 4'-sulfate

ChEBI IDCHEBI:18250
ChEBI Namechondroitin 4'-sulfate
Stars
DefinitionA chondroitin sulfate in which the site of sulfation is carbon 4 of the N-acetylgalactosamine (GalNAc) sugar.
Secondary ChEBI IDsCHEBI:3674, CHEBI:13990, CHEBI:23222
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](CO)[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/C14H23NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/t4-,5-,6+,7+,8-,9+,10-,11+,13-,14-/m1/s1
InChIKeyAVJBPWGFOQAPRH-MMPMEFKSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
chondroitin 4'-sulfate (CHEBI:18250) has role mouse metabolite (CHEBI:75771)
chondroitin 4'-sulfate (CHEBI:18250) is a chondroitin sulfate (CHEBI:37397)
chondroitin 4'-sulfate (CHEBI:18250) is conjugate acid of chondroitin 4'-sulfate anion (CHEBI:58422)
Incoming Relation(s)
schreckstoff (CHEBI:133299) has part chondroitin 4'-sulfate (CHEBI:18250)
chondroitin 4'-sulfate 1-(6'-L-aspartate) (CHEBI:19036) is a chondroitin 4'-sulfate (CHEBI:18250)
chondroitin 4'-sulfate anion (CHEBI:58422) is conjugate base of chondroitin 4'-sulfate (CHEBI:18250)
Synonyms  Source
Chondroitin 4-sulfateKEGG COMPOUND
Chondroitin sulfate AKEGG COMPOUND
Chondroitin 4'-sulfateKEGG COMPOUND
chondroitin 4-(hydrogen sulfate)ChemIDplus
chondroitin A sulfateChemIDplus
chondroitin sulfate type AChemIDplus
Manual XrefsDatabases
C00634KEGG COMPOUND
Chondroitin-Sulfate-AMetaCyc
D00080KEGG DRUG
Registry NumbersSources
Reaxys:8611783Reaxys
CAS:24967-93-9KEGG COMPOUND
CAS:24967-93-9ChemIDplus
Citations