CHEBI:155067 - N-[(3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxyoxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxyoxan-3-yl]acetamide
ChEBI ID CHEBI:155067
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C48H81N3O34
Net Charge 0
Average Mass 1244.163
Monoisotopic Mass 1243.47015
InChI InChI=1S/C48H81N3O34/c1-11-24(58)31(65)34(68)45(75-11)83-39-22(50-14(4)56)43(78-17(7-53)27(39)61)73-9-19-29(63)38(21(42(72)77-19)49-13(3)55)82-48-37(71)41(85-47-36(70)33(67)26(60)16(6-52)80-47)30(64)20(81-48)10-74-44-23(51-15(5)57)40(28(62)18(8-54)79-44)84-46-35(69)32(66)25(59)12(2)76-46/h11-12,16-48,52-54,58-72H,6-10H2,1-5H3,(H,49,55)(H,50,56)(H,51,57)/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
InChIKey RYDGHACDIYGHEA-MTFWECMESA-N
SMILES O([C@H]1[C@@H](O)[C@H](OC(O)[C@@H]1NC(=O)C)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@H]2NC(=O)C)CO)[C@@H]4O[C@@H]([C@H](O)[C@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)[C@H]4O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)[C@H]6NC(=O)C)CO
ChEBI Ontology
Outgoing N-[(3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxyoxan-3-yl]acetamide (CHEBI:155067) is a amino sugar (CHEBI:28963)
Synonyms Sources
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose SUBMITTER
Fuc(a1-3)GlcNAc(b1-6)[Gal(b1-3)]Gal(b1-3)[Fuc(a1-3)GlcNAc(b1-6)]GalNAc SUBMITTER
WURCS=2.0/4,7,6/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-2-3-4-3-4/a3-b1_a6-f1_b3-c1_b6-d1_d3-e1_f3-g1 SUBMITTER
Manual Xrefs Databases
G94234FX GlyTouCan
G94234FX GlyGen
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