CHEBI:157266 - [(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name [(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate
ChEBI ID CHEBI:157266
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C28H48N2O24S
Net Charge 0
Average Mass 828.740
Monoisotopic Mass 828.23177
InChI InChI=1S/C28H48N2O24S/c1-7(33)29-13-18(38)23(53-27-21(41)19(39)15(35)9(3-31)50-27)12(6-48-55(44,45)46)52-26(13)47-5-11-17(37)24(14(25(43)49-11)30-8(2)34)54-28-22(42)20(40)16(36)10(4-32)51-28/h9-28,31-32,35-43H,3-6H2,1-2H3,(H,29,33)(H,30,34)(H,44,45,46)/t9-,10-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20+,21-,22-,23-,24-,25+,26?,27?,28?/m1/s1
InChIKey GDWKIQKSCKQCDQ-UIMOYPRSSA-N
SMILES S(OC[C@H]1OC(OC[C@H]2O[C@H](O)[C@H](NC(=O)C)[C@@H](OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1OC4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)(O)(=O)=O
ChEBI Ontology
Outgoing [(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:157266) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfo-D-gluco-hexopyranosyl-(1->6)-[D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose SUBMITTER
Gal(?1-4)GlcNAc6S(?1-6)[Gal(?1-3)]a-GalNAc SUBMITTER
WURCS=2.0/3,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1x_1-5][a2122h-1x_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3-2/a3-b1_a6-c1_c4-d1 SUBMITTER
Manual Xrefs Databases
G38887OA GlyTouCan
G38887OA GlyGen
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