CHEBI:150538 - N-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]acetamide
ChEBI ID CHEBI:150538
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C26H45NO21
Net Charge 0
Average Mass 707.632
Monoisotopic Mass 707.24841
InChI InChI=1S/C26H45NO21/c1-6(32)27-11-20(13(34)9(4-30)43-24(11)47-21-14(35)8(3-29)42-23(41)18(21)39)46-26-19(40)22(15(36)10(5-31)45-26)48-25-17(38)16(37)12(33)7(2-28)44-25/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16+,17-,18-,19-,20-,21+,22+,23?,24+,25-,26+/m1/s1
InChIKey IBHOXMBFPWRPND-WRIAQXAYSA-N
SMILES O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO)O[C@H]2[C@@H](O)[C@H](OC(O)[C@@H]2O)CO)[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)CO
ChEBI Ontology
Outgoing N-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]acetamide (CHEBI:150538) is a oligosaccharide (CHEBI:50699)
Synonyms Sources
alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-D-galacto-hexopyranose SUBMITTER
Gal(a1-3)Gal(b1-3)GlcNAc(b1-3)Gal SUBMITTER
WURCS=2.0/4,4,3/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5]/1-2-3-4/a3-b1_b3-c1_c3-d1 SUBMITTER
Manual Xrefs Databases
G39402EG GlyTouCan
G39402EG GlyGen
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