CHEBI:153018 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S)-5-[(1R)-1,2-Dihydroxyethyl]-2-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S)-5-[(1R)-1,2-Dihydroxyethyl]-2-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:153018
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)27-11-14(37)12(35)9(4-30)43-24(11)47-21-17(40)19(8(34)3-29)45-26(21)48-22-20(13(36)10(5-31)42-23(22)41)46-25-16(39)15(38)18(44-25)7(33)2-28/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 IKKMXLZMWWVKTD-ZVKUALDXSA-N
SMILES O([C@H]1O[C@H]([C@H](O)[C@H]1O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O)CO)[C@@H]3[C@@H](O[C@@H]4O[C@H]([C@H](O)[C@H]4O)[C@H](O)CO)[C@@H](O)[C@H](O[C@@H]3O)CO
ChEBI Ontology
Outgoing N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S)-5-[(1R)-1,2-Dihydroxyethyl]-2-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:153018) is a oligosaccharide (CHEBI:50699)
Synonyms Sources
2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->2)-alpha-D-galacto-hexofuranosyl-(1->2)-[beta-D-galacto-hexofuranosyl-(1->3)]-alpha-D-galacto-hexopyranose SUBMITTER
GlcNAc(a1-2)Galf(a1-2)[Galf(b1-3)]a-Gal SUBMITTER
WURCS=2.0/4,4,3/[a2112h-1a_1-5][a2112h-1a_1-4][a2122h-1a_1-5_2*NCC/3=O][a2112h-1b_1-4]/1-2-3-4/a2-b1_a3-d1_b2-c1 SUBMITTER
Manual Xrefs Databases
G67808LV GlyTouCan
G67808LV GlyGen
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