CHEBI:155448 - N-[(3R,4R,5S,6R)-2,5-Dihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(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]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-[(3R,4R,5S,6R)-2,5-Dihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(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]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:155448
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information ZINC000013827646
Download Molfile XML SDF
Formula C26H45NO20
Net Charge 0
Average Mass 691.633
Monoisotopic Mass 691.25349
InChI InChI=1S/C26H45NO20/c1-6-12(32)15(35)17(37)24(41-6)47-22-19(39)20(45-25-18(38)16(36)13(33)8(3-28)43-25)10(5-30)44-26(22)46-21-11(27-7(2)31)23(40)42-9(4-29)14(21)34/h6,8-26,28-30,32-40H,3-5H2,1-2H3,(H,27,31)/t6-,8+,9+,10+,11+,12+,13-,14+,15+,16-,17-,18+,19-,20-,21+,22+,23?,24-,25+,26-/m0/s1
InChIKey MIHPVNXUYJDDGV-MRJQJPGDSA-N
SMILES O1[C@@H](O[C@@H]2[C@@H](NC(=O)C)C(O[C@@H]([C@H]2O)CO)O)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](O)[C@@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]1CO
ChEBI Ontology
Outgoing N-[(3R,4R,5S,6R)-2,5-Dihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(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]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:155448) is a amino sugar (CHEBI:28963)
Synonyms Sources
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[alpha-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranose SUBMITTER
Fuc(a1-2)[Gal(a1-4)]Gal(b1-3)GlcNAc SUBMITTER
WURCS=2.0/4,4,3/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-4/a3-b1_b2-c1_b4-d1 SUBMITTER
Manual Xrefs Databases
G92790YQ GlyTouCan
G92790YQ GlyGen
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