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CHEBI:148070 - N-[(2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:148070
ChEBI NameN-[(2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H45NO20
Net Charge0
Average Mass691.633
Monoisotopic Mass691.25349
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[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]1O
WURCSWURCS=2.0/4,4,3/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4/a6-b1_b3-c1_b4-d1
InChIInChI=1S/C26H45NO20/c1-6-12(31)15(34)19(38)25(42-6)46-21-9(4-29)45-24(41-5-10-14(33)16(35)18(37)23(40)43-10)11(27-7(2)30)22(21)47-26-20(39)17(36)13(32)8(3-28)44-26/h6,8-26,28-29,31-40H,3-5H2,1-2H3,(H,27,30)/t6-,8+,9+,10+,11+,12+,13-,14-,15+,16-,17-,18+,19-,20+,21+,22+,23?,24+,25-,26-/m0/s1
InChIKeyDWJMJCODWGZHLU-OTXXCEGBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:148070) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-6)GalSUBMITTER
beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G16244DGGlyTouCan
G16244DGGlyGen