EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:151653 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:151653
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyoxan-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](O)[C@@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-2/a3-b1_a6-c1
InChIInChI=1S/C22H38N2O16/c1-6(27)23-11-16(32)13(29)8(3-25)38-21(11)36-5-10-15(31)19(18(34)20(35)37-10)40-22-12(24-7(2)28)17(33)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
InChIKeyPQEPVBPESBHCDK-GIENESBSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:151653) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
GlcNAc(b1-3)[GlcNAc(b1-6)]a-ManSUBMITTER
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranoseSUBMITTER
Manual XrefsDatabases
G52621YNGlyTouCan
G52621YNGlyGen