CHEBI:151356 - N-[(3R,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,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]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(3R,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,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]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide
ChEBI ID CHEBI:151356
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C34H58N2O25
Net Charge 0
Average Mass 894.827
Monoisotopic Mass 894.33287
InChI InChI=1S/C34H58N2O25/c1-8-17(42)22(47)25(50)32(54-8)61-29-24(49)19(44)12(5-38)58-34(29)53-7-14-27(21(46)15(30(52)55-14)35-9(2)40)59-31-16(36-10(3)41)28(20(45)13(6-39)56-31)60-33-26(51)23(48)18(43)11(4-37)57-33/h8,11-34,37-39,42-52H,4-7H2,1-3H3,(H,35,40)(H,36,41)/t8-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20+,21+,22+,23-,24-,25-,26+,27-,28+,29+,30?,31-,32-,33-,34+/m0/s1
InChIKey VOWIOWDBAJPIPF-RQTYBMKASA-N
SMILES O([C@H]1[C@H](OC(O)[C@H](NC(=O)C)[C@H]1O)CO[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)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]4NC(=O)C)CO
ChEBI Ontology
Outgoing N-[(3R,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,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]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide (CHEBI:151356) is a amino sugar (CHEBI:28963)
Synonyms Sources
beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose SUBMITTER
Gal(b1-3)GlcNAc(b1-4)[Fuc(a1-2)Gal(b1-6)]GalNAc SUBMITTER
WURCS=2.0/4,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-3-4/a4-b1_a6-d1_b3-c1_d2-e1 SUBMITTER
Manual Xrefs Databases
G55840CA GlyTouCan
G55840CA GlyGen
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