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CHEBI:147756 - N-[(2S,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide

ChEBI IDCHEBI:147756
ChEBI NameN-[(2S,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC44H77NO36
Net Charge0
Average Mass1196.071
Monoisotopic Mass1195.42253
SMILESCC(=O)N[C@@H](CO)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[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)[C@H](O)CO
WURCSWURCS=2.0/3,7,6/[h2122h_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-3-3-3-3/a4-b1_b3-c1_b6-e1_c2-d1_e3-f1_f2-g1
InChIInChI=1S/C44H77NO36/c1-10(53)45-11(2-46)19(55)34(12(54)3-47)77-42-33(69)36(79-44-38(29(65)23(59)16(7-51)75-44)81-41-31(67)27(63)21(57)14(5-49)73-41)25(61)18(76-42)9-70-39-32(68)35(24(60)17(8-52)71-39)78-43-37(28(64)22(58)15(6-50)74-43)80-40-30(66)26(62)20(56)13(4-48)72-40/h11-44,46-52,54-69H,2-9H2,1H3,(H,45,53)/t11-,12+,13+,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-,43+,44+/m0/s1
InChIKeyIUSUPTHLKWLRQT-SNHNGPGDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide (CHEBI:147756) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G12046WVGlyTouCan
G12046WVGlyGen