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CHEBI:148801 - N-[(3R,4R,5S,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:148801
ChEBI NameN-[(3R,4R,5S,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC38H65NO31
Net Charge0
Average Mass1031.914
Monoisotopic Mass1031.35405
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[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](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/4,6,5/[a2122h-1x_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1a_1-5]/1-2-3-3-2-4/a3-b1_b2-c1_c2-d1_c3-f1_d2-e1
InChIInChI=1S/C38H65NO31/c1-8(46)39-15-28(20(51)13(6-44)60-33(15)59)66-36-31(25(56)19(50)11(4-42)63-36)69-38-32(29(21(52)14(7-45)65-38)67-34-26(57)22(53)16(47)9(2-40)61-34)70-37-30(24(55)18(49)12(5-43)64-37)68-35-27(58)23(54)17(48)10(3-41)62-35/h9-38,40-45,47-59H,2-7H2,1H3,(H,39,46)/t9-,10-,11-,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-/m1/s1
InChIKeyMVVQLUQLDFUYRL-XWAHDGQSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5S,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148801) is a amino sugar (CHEBI:28963)
Synonyms  Source
beta-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->2)-[alpha-D-gluco-hexopyranosyl-(1->3)]-alpha-D-manno-hexopyranosyl-(1->2)-beta-D-manno-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Man(b1-2)Man(a1-2)[Glc(a1-3)]Man(a1-2)Man(b1-3)GlcNAcSUBMITTER
Manual XrefsDatabases
G26889IXGlyTouCan