CHEBI:155581 - N-[(3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-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)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:155581
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C54H91N3O39
Net Charge 0
Average Mass 1406.304
Monoisotopic Mass 1405.52297
InChI InChI=1S/C54H91N3O39/c1-12-26(66)34(74)38(78)50(83-12)95-45-36(76)28(68)17(6-58)88-53(45)92-42-24(56-15(4)64)48(86-20(9-61)31(42)71)82-11-22-33(73)44(40(80)52(90-22)91-41-23(55-14(3)63)47(81)85-19(8-60)30(41)70)94-49-25(57-16(5)65)43(32(72)21(10-62)87-49)93-54-46(37(77)29(69)18(7-59)89-54)96-51-39(79)35(75)27(67)13(2)84-51/h12-13,17-54,58-62,66-81H,6-11H2,1-5H3,(H,55,63)(H,56,64)(H,57,65)/t12-,13-,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+,49-,50-,51-,52-,53-,54-/m0/s1
InChIKey NFAIFPJGFJSQNO-SGNHMXFPSA-N
SMILES O([C@H]1[C@@H](O)[C@H](O[C@@H](O[C@@H]2[C@@H](NC(=O)C)C(O[C@@H]([C@@H]2O)CO)O)[C@@H]1O)CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)[C@H]3NC(=O)C)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@@H]8O[C@H]([C@@H](O)[C@@H](O)[C@@H]8O)C)CO)[C@H]6NC(=O)C)CO
ChEBI Ontology
Outgoing N-[(3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:155581) is a amino sugar (CHEBI:28963)
Synonyms Sources
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-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(b1-3)GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-3)GlcNAc(b1-6)]Gal(b1-3)GalNAc SUBMITTER
WURCS=2.0/4,8,7/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4-3-2-4/a3-b1_b3-c1_b6-f1_c3-d1_d2-e1_f3-g1_g2-h1 SUBMITTER
Manual Xrefs Databases
G93526OI GlyTouCan
G93526OI GlyGen
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