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CHEBI:29057 - keratan

ChEBI IDCHEBI:29057
ChEBI Namekeratan
Stars
Secondary ChEBI IDsCHEBI:14490, CHEBI:24954, CHEBI:89571
Last Modified16 June 2016
DownloadsMolfile
FormulaC28H48N2O32S4
Net Charge0
Average Mass1052.942
Monoisotopic Mass1052.10730
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O[C@@H]3O[C@H](COS(=O)(=O)O)C[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C28H48N2O32S4/c1-8(31)29-15-11(33)3-10(4-52-63(40,41)42)56-26(15)62-24-18(35)13(6-54-65(46,47)48)58-28(21(24)38)60-22-14(7-55-66(49,50)51)59-27(16(19(22)36)30-9(2)32)61-23-17(34)12(5-53-64(43,44)45)57-25(39)20(23)37/h10-28,33-39H,3-7H2,1-2H3,(H,29,31)(H,30,32)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t10-,11-,12+,13+,14+,15+,16+,17-,18-,19+,20+,21+,22+,23-,24-,25+,26-,27-,28-/m0/s1
InChIKeyKXCLCNHUUKTANI-RBIYJLQWSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (14711889)
ChEBI Ontology
Outgoing Relation(s)
keratan (CHEBI:29057) is a glycosaminoglycan (CHEBI:18085)
Incoming Relation(s)
keratan sulfate (CHEBI:60924) has functional parent keratan (CHEBI:29057)
keratan sulfate D-glucuronosyl-D-galactosyl-D-galactosyl-D-xylosyl-L-threonine (CHEBI:24956) has functional parent keratan (CHEBI:29057)
Synonyms  Source
keratanChEBI
Keratan 6'-sulphateHMDB
Kerato 6'-sulphateHMDB
{[(2S,4S,5R,6S)-5-acetamido-6-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-[(sulfooxy)methyl]-6-{[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-[(sulfooxy)methyl]oxan-4-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-[(sulfooxy)methyl]oxan-4-yl]oxy}-4-hydroxyoxan-2-yl]methoxy}sulfonic acidHMDB
Kerato sulphateHMDB
Keratan sulfateHMDB
Manual XrefsDatabases
C01431KEGG COMPOUND
KERATANMetaCyc
keratan sulfateWikipedia
HMDB0001165HMDB
Registry NumbersSources
CAS:69992-87-6KEGG COMPOUND
Citations