CHEBI:155764 - N-[(3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-dihydroxy-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-[(3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:155764
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information ZINC000013352621
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)24(54)27(57)37(63-9)71-33-18(42-11(3)48)36(67-15(7-46)31(33)69-38-28(58)25(55)20(50)12(4-43)65-38)62-8-16-23(53)34(72-39-29(59)26(56)21(51)13(5-44)66-39)30(60)40(68-16)70-32-17(41-10(2)47)35(61)64-14(6-45)22(32)52/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 KGWNPGIYGASBKM-UYRLVBMPSA-N
SMILES O1[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](NC(=O)C)C(O[C@@H]([C@@H]3O)CO)O)[C@H](O)[C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)[C@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H]1CO
ChEBI Ontology
Outgoing N-[(3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:155764) is a amino sugar (CHEBI:28963)
Synonyms Sources
6-deoxy-alpha-L-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)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose SUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)[Gal(b1-3)]Gal(b1-3)GalNAc SUBMITTER
WURCS=2.0/4,6,5/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-2-3-4-2/a3-b1_b3-c1_b6-d1_d3-e1_d4-f1 SUBMITTER
Manual Xrefs Databases
G94161VQ GlyTouCan
G94161VQ GlyGen
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