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CHEBI:156646 - N-[(3R,4R,5R,6R)-2-[(3R,4S,5S,6R)-2-[(3R,4R,5S,6R)-3-Acetamido-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Default Structure
ChEBI IDCHEBI:156646
ChEBI NameN-[(3R,4R,5R,6R)-2-[(3R,4S,5S,6R)-2-[(3R,4R,5S,6R)-3-Acetamido-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H61N3O25
Net Charge0
Average Mass935.880
Monoisotopic Mass935.35941
SMILESCC(=O)N[C@@H]1[C@@H](OC2O[C@H](CO)[C@@H](O)[C@H](OC3O[C@H](CO)[C@H](O)[C@H](OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3OC3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/5,5,4/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5][a1221m-1x_1-5][a2112h-1x_1-5_2*NCC/3=O]/1-2-3-4-5/a3-b1_b3-c1_c2-d1_c3-e1
InChIInChI=1S/C36H61N3O25/c1-9-20(47)26(53)27(54)35(56-9)64-31-30(63-33-17(37-10(2)44)25(52)21(48)13(5-40)58-33)24(51)16(8-43)60-36(31)62-29-19(39-12(4)46)34(59-15(7-42)23(29)50)61-28-18(38-11(3)45)32(55)57-14(6-41)22(28)49/h9,13-36,40-43,47-55H,5-8H2,1-4H3,(H,37,44)(H,38,45)(H,39,46)/t9-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24-,25+,26+,27-,28+,29+,30-,31+,32-,33?,34?,35?,36?/m0/s1
InChIKeyOLNRCFRJPSGCQG-VMZPGPIQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5R,6R)-2-[(3R,4S,5S,6R)-2-[(3R,4R,5S,6R)-3-Acetamido-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:156646) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
6-deoxy-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-D-galacto-hexopyranosyl-(1->3)]-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
Fuc(?1-2)[GalNAc(?1-3)]Gal(?1-3)GlcNAc(?1-3)a-GalNAcSUBMITTER
Manual XrefsDatabases
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