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CHEBI:155453 - N-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide

ChEBI IDCHEBI:155453
ChEBI NameN-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H58N2O25
Net Charge0
Average Mass894.827
Monoisotopic Mass894.33287
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1O
WURCSWURCS=2.0/4,5,4/[a2122h-1a_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-4/a4-b1_a6-e1_b4-c1_c6-d1
InChIInChI=1S/C34H58N2O25/c1-8-17(41)22(46)25(49)32(55-8)54-7-14-29(20(44)15(30(52)56-14)35-9(2)39)60-31-16(36-10(3)40)21(45)28(12(5-38)58-31)61-34-27(51)24(48)19(43)13(59-34)6-53-33-26(50)23(47)18(42)11(4-37)57-33/h8,11-34,37-38,41-52H,4-7H2,1-3H3,(H,35,39)(H,36,40)/t8-,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26-,27-,28+,29+,30-,31+,32+,33-,34-/m0/s1
InChIKeyWWRYBASNYSZURS-RNAHEAIVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide (CHEBI:155453) is a amino sugar (CHEBI:28963)
Synonyms  Source
alpha-D-manno-hexopyranosyl-(1->6)-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranoseSUBMITTER
Man(a1-6)Man(b1-4)GlcNAc(a1-4)[Fuc(a1-6)]a-GlcNAcSUBMITTER
Manual XrefsDatabases
G98431INGlyTouCan
G98431INGlyGen