EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:150511 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:150511
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC48H81N3O34
Net Charge0
Average Mass1244.163
Monoisotopic Mass1243.47015
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1O
WURCSWURCS=2.0/4,7,6/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4-2-3-4/a3-b1_a6-e1_b4-c1_c2-d1_e4-f1_f2-g1
InChIInChI=1S/C48H81N3O34/c1-11-24(59)31(66)35(70)45(74-11)84-40-33(68)26(61)16(6-52)77-47(40)81-37-18(8-54)79-43(21(29(37)64)49-13(3)56)73-10-20-28(63)39(23(42(72)76-20)51-15(5)58)83-44-22(50-14(4)57)30(65)38(19(9-55)80-44)82-48-41(34(69)27(62)17(7-53)78-48)85-46-36(71)32(67)25(60)12(2)75-46/h11-12,16-48,52-55,59-72H,6-10H2,1-5H3,(H,49,56)(H,50,57)(H,51,58)/t11-,12-,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-,45-,46-,47-,48-/m0/s1
InChIKeyNEJWCUJJQKAFHC-LDRHYYBISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:150511) is a amino sugar (CHEBI:28963)
Synonyms  Source
Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]a-GalNAcSUBMITTER
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G39326PPGlyTouCan
G39326PPGlyGen