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CHEBI:154100 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-Acetamido-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:154100
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-Acetamido-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H38N2O16
Net Charge0
Average Mass586.544
Monoisotopic Mass586.22213
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-2/a6-b1_b6-c1
InChIInChI=1S/C22H38N2O16/c1-6(26)23-11-16(31)13(28)8(3-25)39-21(11)37-5-10-14(29)17(32)12(24-7(2)27)22(40-10)36-4-9-15(30)18(33)19(34)20(35)38-9/h8-22,25,28-35H,3-5H2,1-2H3,(H,23,26)(H,24,27)/t8-,9-,10-,11-,12-,13-,14-,15+,16-,17-,18+,19-,20?,21-,22-/m1/s1
InChIKeyPOCBBUVJBZFJKC-CFIITSMCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-Acetamido-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:154100) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-D-galacto-hexopyranoseSUBMITTER
GlcNAc(b1-6)GlcNAc(b1-6)GalSUBMITTER
Manual XrefsDatabases
G78842DKGlyTouCan
G78842DKGlyGen