EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:151416 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Default Structure
ChEBI IDCHEBI:151416
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC44H74N4O31
Net Charge0
Average Mass1155.073
Monoisotopic Mass1154.43370
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)OC(O)[C@@H]4NC(C)=O)O[C@@H]3CO)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H]1O
WURCSWURCS=2.0/3,6,5/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2-3-2/a3-b1_b4-c1_c3-d1_c6-f1_d4-e1
InChIInChI=1S/C44H74N4O31/c1-11(54)45-21-29(62)25(58)15(5-49)71-40(21)69-10-20-28(61)38(79-42-23(47-13(3)56)31(64)35(18(8-52)74-42)76-43-33(66)32(65)26(59)16(6-50)72-43)34(67)44(75-20)77-36-19(9-53)73-41(22(30(36)63)46-12(2)55)78-37-24(48-14(4)57)39(68)70-17(7-51)27(37)60/h15-44,49-53,58-68H,5-10H2,1-4H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,38+,39?,40-,41+,42+,43+,44+/m1/s1
InChIKeyQXVKRQWAJIQSEQ-KCDTVXMPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:151416) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-3)GalNAcSUBMITTER
Manual XrefsDatabases
G47925PBGlyGen
G47925PBGlyTouCan