CHEBI:154782 - N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
ChEBI ID CHEBI:154782
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C26H45NO20
Net Charge 0
Average Mass 691.633
Monoisotopic Mass 691.25349
InChI InChI=1S/C26H45NO20/c1-6-12(31)16(35)20(39)25(42-6)47-22-18(37)13(32)8(3-28)45-26(22)46-21-11(27-7(2)30)24(44-9(4-29)15(21)34)41-5-10-14(33)17(36)19(38)23(40)43-10/h6,8-26,28-29,31-40H,3-5H2,1-2H3,(H,27,30)/t6-,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-,19+,20-,21+,22+,23?,24+,25-,26-/m0/s1
InChIKey PMZOIVJKINTOKF-ODULRZJDSA-N
SMILES O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO)OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)CO
ChEBI Ontology
Outgoing N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-3-yl]acetamide (CHEBI:154782) is a oligosaccharide (CHEBI:50699)
Synonyms Sources
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-D-galacto-hexopyranose SUBMITTER
Fuc(a1-2)Gal(b1-3)GlcNAc(b1-6)Gal SUBMITTER
WURCS=2.0/4,4,3/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4/a6-b1_b3-c1_c2-d1 SUBMITTER
Manual Xrefs Databases
G87115JQ GlyTouCan
G87115JQ GlyGen
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