CHEBI:157080 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:157080
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)24(49)32(54-8)61-29-26(51)27(59-33-25(50)23(48)19(44)12(5-38)57-33)13(6-39)58-34(29)60-28-16(36-10(3)41)30(52)55-14(20(28)45)7-53-31-15(35-9(2)40)21(46)18(43)11(4-37)56-31/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 IVVWACMUAVNTDN-UGURAUONSA-N
SMILES O([C@@H]1O[C@@H]([C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@H]1O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)CO)[C@H]4[C@@H](O)[C@H](O[C@H](O)[C@@H]4NC(=O)C)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5NC(=O)C)CO
ChEBI Ontology
Outgoing N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:157080) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose SUBMITTER
Fuc(a1-2)[Gal(b1-4)]Gal(b1-3)[GlcNAc(b1-6)]a-GalNAc SUBMITTER
WURCS=2.0/4,5,4/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-4/a3-b1_a6-e1_b2-c1_b4-d1 SUBMITTER
Manual Xrefs Databases
G61311ZY GlyGen
G61311ZY GlyTouCan
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