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CHEBI:157588 - N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-2-[[(3R,4R,5S,6R)-3-acetamido-5-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Default Structure
ChEBI IDCHEBI:157588
ChEBI NameN-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-2-[[(3R,4R,5S,6R)-3-acetamido-5-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-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](O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](COC2O[C@H](CO)[C@@H](OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3OC3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1O
WURCSWURCS=2.0/4,5,4/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5][a1221m-1x_1-5]/1-2-2-3-4/a3-b1_a6-c1_c4-d1_d2-e1
InChIInChI=1S/C36H61N3O25/c1-9-20(46)26(52)28(54)35(57-9)64-31-27(53)22(48)14(6-41)60-36(31)62-29-15(7-42)61-33(18(25(29)51)38-11(3)44)56-8-16-23(49)30(19(32(55)58-16)39-12(4)45)63-34-17(37-10(2)43)24(50)21(47)13(5-40)59-34/h9,13-36,40-42,46-55H,5-8H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)/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
InChIKeyZYWZJQBIKUZFCV-WIUHHKOTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-2-[[(3R,4R,5S,6R)-3-acetamido-5-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:157588) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)-[2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
Fuc(?1-2)Gal(?1-4)GlcNAc(?1-6)[GlcNAc(?1-3)]a-GalNAcSUBMITTER
Manual XrefsDatabases
G27030ZCGlyTouCan
G27030ZCGlyGen