CHEBI:150050 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:150050
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C22H38N2O16
Net Charge 0
Average Mass 586.544
Monoisotopic Mass 586.22213
InChI InChI=1S/C22H38N2O16/c1-6(27)23-11-15(31)13(29)8(3-25)38-21(11)36-5-10-19(17(33)18(34)20(35)37-10)40-22-12(24-7(2)28)16(32)14(30)9(4-26)39-22/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20?,21-,22+/m1/s1
InChIKey PRBMPALNLUVVDB-OISLSHGMSA-N
SMILES O([C@H]1[C@H](OC(O)[C@H](O)[C@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO
ChEBI Ontology
Outgoing N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:150050) is a oligosaccharide (CHEBI:50699)
Synonyms Sources
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-D-galacto-hexopyranose SUBMITTER
GlcNAc(b1-4)[GlcNAc(b1-6)]Gal SUBMITTER
WURCS=2.0/2,3,2/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-2/a4-b1_a6-c1 SUBMITTER
Manual Xrefs Databases
G34442TX GlyTouCan
G34442TX GlyGen
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