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Keratan sulfate I

PropertiesImageOccurences in reactions
MNX_IDMNXM1104651Image of MNXM1104651
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 7
formulaC28H48N2O32S4
charge0
mass1052.914
referencebiggM:ksi
InChIKeyKXCLCNHUUKTANI-RBIYJLQWSA-N
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
SMILES[CH3:1][C:8](=[N:29][C@@H:15]1[C@@H:11]([OH:33])[CH2:3][C@@H:10]([CH2:4][O:52][S:63]([OH:40])(=[O:41])=[O:42])[O:56][C@H:26]1[O:62][C@H:24]1[C@@H:18]([OH:35])[C@@H:13]([CH2:6][O:54][S:65]([OH:46])(=[O:47])=[O:48])[O:58][C@@H:28]([O:60][C@@H:22]2[C@@H:14]([CH2:7][O:55][S:66]([OH:49])(=[O:50])=[O:51])[O:59][C@@H:27]([O:61][C@H:23]3[C@@H:17]([OH:34])[C@@H:12]([CH2:5][O:53][S:64]([OH:43])(=[O:44])=[O:45])[O:57][C@@H:25]([OH:39])[C@@H:20]3[OH:37])[C@H:16]([N:30]=[C:9]([CH3:2])[OH:32])[C@H:19]2[OH:36])[C@@H:21]1[OH:38])[OH:31]
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Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:ksi
biggM:ksi 		Keratan sulfate I
hmdb:HMDB0001165 Keratan
Keratan 6'-sulfate
Keratan 6'-sulphate
Keratan sulfate
Keratan sulphate
Kerato 6'-sulfate
Kerato 6'-sulphate
Kerato sulfate
Kerato sulphate
Keratosulfate
N-[(2S,3R,4S,6S)-2-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-{[(2R,3S,4R,5R,6S)-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-[(sulfooxy)methyl]-6-{[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-[(sulfooxy)methyl]oxan-4-yl]oxy}oxan-3-yl]oxy}-6-[(sulfooxy)methyl]oxan-4-yl]oxy}-4-hydroxy-6-[(sulfooxy)methyl]oxan-3-yl]ethanimidate
N-[(2S,3R,4S,6S)-2-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-{[(2R,3S,4R,5R,6S)-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-[(sulphooxy)methyl]-6-{[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-[(sulphooxy)methyl]oxan-4-yl]oxy}oxan-3-yl]oxy}-6-[(sulphooxy)methyl]oxan-4-yl]oxy}-4-hydroxy-6-[(sulphooxy)methyl]oxan-3-yl]ethanimidate
N-[(2S,3R,4S,6S)-2-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-{[(2R,3S,4R,5R,6S)-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-[(sulphooxy)methyl]-6-{[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-[(sulphooxy)methyl]oxan-4-yl]oxy}oxan-3-yl]oxy}-6-[(sulphooxy)methyl]oxan-4-yl]oxy}-4-hydroxy-6-[(sulphooxy)methyl]oxan-3-yl]ethanimidic acid
Sulfate, keratan
[(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]methoxysulfonic acid
{[(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 acid
vmhM:ksi
vmhmetabolite:ksi 		keratan sulfate I
{[(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]o
hmdb:HMDB01165
biggM:M_ksi 		secondary/obsolete/fantasy identifier