CHEBI:150496 - N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2R,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2R,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
ChEBI ID CHEBI:150496
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C52H88N2O40
Net Charge 0
Average Mass 1381.250
Monoisotopic Mass 1380.49134
InChI InChI=1S/C52H88N2O40/c1-11-23(61)31(69)35(73)47(83-11)82-10-20-42(29(67)21(45(79)84-20)53-12(2)59)91-46-22(54-13(3)60)30(68)41(17(7-58)88-46)92-52-40(78)44(94-51-38(76)34(72)26(64)16(6-57)87-51)28(66)19(90-52)9-81-49-39(77)43(93-50-37(75)33(71)25(63)15(5-56)86-50)27(65)18(89-49)8-80-48-36(74)32(70)24(62)14(4-55)85-48/h11,14-52,55-58,61-79H,4-10H2,1-3H3,(H,53,59)(H,54,60)/t11-,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-,41+,42+,43-,44-,45+,46-,47+,48-,49-,50+,51+,52+/m0/s1
InChIKey XGYLSVMAAIMGCA-IVEUPZBPSA-N
SMILES O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO[C@@H]3O[C@H]([C@@H](O)[C@H](O)[C@@H]3O)C)O)[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)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)CO)[C@@H]6O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO
ChEBI Ontology
Outgoing N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2R,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide (CHEBI:150496) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)-[alpha-D-manno-hexopyranosyl-(1->3)]-alpha-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose SUBMITTER
Man(a1-3)[Man(a1-6)]Man(a1-6)[Man(a1-3)]Man(a1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc SUBMITTER
WURCS=2.0/3,8,7/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-2-2-2-2-3/a4-b1_a6-h1_b4-c1_c3-d1_c6-e1_e3-f1_e6-g1 SUBMITTER
Manual Xrefs Databases
G41802UK GlyGen
G41802UK GlyTouCan
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