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CHEBI:154172 - N-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:154172
ChEBI NameN-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC44H75NO33
Net Charge0
Average Mass1146.058
Monoisotopic Mass1145.42213
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/5,7,6/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-4-5-4-4/a4-b1_a6-g1_b3-c1_b4-f1_c2-d1_c3-e1
InChIInChI=1S/C44H75NO33/c1-9-18(50)23(55)29(61)40(67-9)66-8-16-33(27(59)28(60)38(65)70-16)74-39-17(45-12(4)49)35(34(15(7-48)73-39)75-41-30(62)24(56)19(51)10(2)68-41)76-44-37(78-42-31(63)25(57)20(52)11(3)69-42)36(22(54)14(6-47)72-44)77-43-32(64)26(58)21(53)13(5-46)71-43/h9-11,13-44,46-48,50-65H,5-8H2,1-4H3,(H,45,49)/t9-,10-,11-,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
InChIKeySZOFRDHWHCTDLB-FNOSPRCBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxyoxan-3-yl]acetamide (CHEBI:154172) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
Fuc(a1-2)[Gal(a1-3)]Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-4)[Fuc(a1-6)]GalSUBMITTER
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G75872ERGlyTouCan
G75872ERGlyGen