CHEBI:154993 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,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]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,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]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:154993
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C40H68N2O30
Net Charge 0
Average Mass 1056.968
Monoisotopic Mass 1056.38569
InChI InChI=1S/C40H68N2O30/c1-9-19(49)25(55)28(58)37(63-9)72-34-33(71-39-30(60)27(57)21(51)13(5-44)66-39)22(52)14(6-45)67-40(34)69-31-15(7-46)68-36(17(24(31)54)41-10(2)47)62-8-16-23(53)32(18(35(61)64-16)42-11(3)48)70-38-29(59)26(56)20(50)12(4-43)65-38/h9,12-40,43-46,49-61H,4-8H2,1-3H3,(H,41,47)(H,42,48)/t9-,12+,13+,14+,15+,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-/m0/s1
InChIKey ZMKRHNCEAKAOMX-QWRLGUBGSA-N
SMILES O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)OC[C@H]2OC(O)[C@H](NC(=O)C)[C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H]2O)[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[C@@H]6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)CO
ChEBI Ontology
Outgoing N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,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]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:154993) is a amino sugar (CHEBI:28963)
Synonyms Sources
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranose SUBMITTER
Fuc(a1-2)[Gal(a1-3)]Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc SUBMITTER
WURCS=2.0/5,6,5/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-2-4-5/a3-b1_a6-c1_c4-d1_d2-e1_d3-f1 SUBMITTER
Manual Xrefs Databases
G91181WA GlyGen
G91181WA GlyTouCan
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