CHEBI:148638 - [(2R,3S,4R,5R,6R)-5-Acetamido-6-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate

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ChEBI Name [(2R,3S,4R,5R,6R)-5-Acetamido-6-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate
ChEBI ID CHEBI:148638
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C20H35NO18S
Net Charge 0
Average Mass 609.550
Monoisotopic Mass 609.15748
InChI InChI=1S/C20H35NO18S/c1-5-10(24)12(26)14(28)19(35-5)38-16-8(4-34-40(31,32)33)36-18(30)9(21-6(2)23)17(16)39-20-15(29)13(27)11(25)7(3-22)37-20/h5,7-20,22,24-30H,3-4H2,1-2H3,(H,21,23)(H,31,32,33)/t5-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17+,18+,19-,20-/m0/s1
InChIKey KDPQLHFUGUMOJL-LPHOMBEVSA-N
SMILES S(OC[C@H]1O[C@@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@@H]1O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)(O)(=O)=O
ChEBI Ontology
Outgoing [(2R,3S,4R,5R,6R)-5-Acetamido-6-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:148638) is a oligosaccharide sulfate (CHEBI:37909)
Synonyms Sources
beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-6-O-sulfo-beta-D-gluco-hexopyranose SUBMITTER
Gal(b1-3)[Fuc(a1-4)]b-GlcNAc6S SUBMITTER
WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3/a3-b1_a4-c1 SUBMITTER
Manual Xrefs Databases
G29159ZA GlyGen
G29159ZA GlyTouCan
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