EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:146956 - N-[(3R,4R,5S,6R)-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-hydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:146956
ChEBI NameN-[(3R,4R,5S,6R)-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-hydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC50H84N4O36
Net Charge0
Average Mass1317.214
Monoisotopic Mass1316.48653
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]4CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,7,6/[a2122h-1x_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-4-3-4/a4-b1_b3-c1_b4-e1_b6-f1_c2-d1_f2-g1
InChIInChI=1S/C50H84N4O36/c1-12(61)51-23-35(73)39(21(10-60)79-44(23)77)86-48-38(76)41(88-50-43(37(75)31(69)20(9-59)84-50)90-47-26(54-15(4)64)34(72)29(67)18(7-57)82-47)40(87-45-24(52-13(2)62)32(70)27(65)16(5-55)80-45)22(85-48)11-78-49-42(36(74)30(68)19(8-58)83-49)89-46-25(53-14(3)63)33(71)28(66)17(6-56)81-46/h16-50,55-60,65-77H,5-11H2,1-4H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)/t16-,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+,49+,50-/m1/s1
InChIKeyKYVOVZHMIWRJNE-SNUOIIPWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5S,6R)-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-hydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:146956) is a amino sugar (CHEBI:28963)
Synonyms  Source
GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAcSUBMITTER
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G09319JKGlyTouCan
G09319JKGlyGen