CHEBI:156684 - [(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R,6R)-5-acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-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,6R)-5-acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-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:156684
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C34H58N2O28S
Net Charge 0
Average Mass 974.880
Monoisotopic Mass 974.28968
InChI InChI=1S/C34H58N2O28S/c1-8-17(41)22(46)25(49)32(57-8)64-29-24(48)19(43)12(5-38)60-34(29)63-28-16(36-10(3)40)30(51)58-13(20(28)44)6-55-31-15(35-9(2)39)21(45)27(14(61-31)7-56-65(52,53)54)62-33-26(50)23(47)18(42)11(4-37)59-33/h8,11-34,37-38,41-51H,4-7H2,1-3H3,(H,35,39)(H,36,40)(H,52,53,54)/t8-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22+,23-,24-,25-,26+,27+,28+,29+,30+,31?,32?,33?,34?/m0/s1
InChIKey MKMIOZXMXARQKY-DHZNYPFESA-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]3OC4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1OC5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)(O)(=O)=O
ChEBI Ontology
Outgoing [(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R,6R)-5-acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-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:156684) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->3)-[D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfo-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-galacto-hexopyranose SUBMITTER
Fuc(?1-2)Gal(?1-3)[Gal(?1-4)GlcNAc6S(?1-6)]b-GalNAc SUBMITTER
WURCS=2.0/4,5,4/[a2112h-1b_1-5_2*NCC/3=O][a2112h-1x_1-5][a1221m-1x_1-5][a2122h-1x_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3-4-2/a3-b1_a6-d1_b2-c1_d4-e1 SUBMITTER
Manual Xrefs Databases
G33637CY GlyTouCan
G33637CY GlyGen
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