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CHEBI:155485 - N-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2R,3S,4S,5S,6R)-6-[[(2R,3S,4S,5S,6R)-6-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Default Structure
ChEBI IDCHEBI:155485
ChEBI NameN-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2R,3S,4S,5S,6R)-6-[[(2R,3S,4S,5S,6R)-6-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC42H71N3O31
Net Charge0
Average Mass1114.020
Monoisotopic Mass1113.40715
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@H](NC(C)=O)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,6,5/[a2122h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O][a1122h-1a_1-5][a1122h-1b_1-5]/1-2-3-3-4-2/a4-b1_b4-c1_c2-d1_c6-e1_e6-f1
InChIInChI=1S/C42H71N3O31/c1-10(50)43-19-27(58)34(15(6-48)68-37(19)65)74-39-21(45-12(3)52)28(59)35(16(7-49)71-39)75-42-36(76-41-33(64)29(60)23(54)14(5-47)70-41)31(62)25(56)18(73-42)9-67-40-32(63)30(61)24(55)17(72-40)8-66-38-20(44-11(2)51)26(57)22(53)13(4-46)69-38/h13-42,46-49,53-65H,4-9H2,1-3H3,(H,43,50)(H,44,51)(H,45,52)/t13-,14-,15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33+,34-,35-,36+,37-,38+,39-,40-,41-,42-/m1/s1
InChIKeyVMLRGMUQKFMSJP-GSYSGARKSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2R,3S,4S,5S,6R)-6-[[(2R,3S,4S,5S,6R)-6-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:155485) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->6)-beta-D-manno-hexopyranosyl-(1->6)-[alpha-D-manno-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
GlcNAc(a1-6)Man(b1-6)[Man(a1-2)]Man(a1-4)GlcNAc(a1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G95813LCGlyGen
G95813LCGlyTouCan