CHEBI:154660 - N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-Acetamido-2-[[(3R,4R,5S,6R)-3-acetamido-5-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-Acetamido-2-[[(3R,4R,5S,6R)-3-acetamido-5-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:154660
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C42H71N3O29
Net Charge 0
Average Mass 1082.022
Monoisotopic Mass 1081.41732
InChI InChI=1S/C42H71N3O29/c1-10-22(52)28(58)31(61)40(65-10)73-35-21(45-14(5)51)38(70-17(8-48)33(35)71-42-36(30(60)25(55)16(7-47)69-42)74-41-32(62)29(59)23(53)11(2)66-41)64-9-18-26(56)34(20(37(63)67-18)44-13(4)50)72-39-19(43-12(3)49)27(57)24(54)15(6-46)68-39/h10-11,15-42,46-48,52-63H,6-9H2,1-5H3,(H,43,49)(H,44,50)(H,45,51)/t10-,11-,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?/m0/s1
InChIKey QUBXOQBXMYDSPU-AVILBYDDSA-N
SMILES O([C@H]1[C@H](OC2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@@H](NC(=O)C)C(O[C@@H]1CO)OC[C@H]3OC(O)[C@H](NC(=O)C)[C@@H](OC4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H]3O)C5O[C@@H]([C@H](O)[C@H](O)[C@H]5OC6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)CO
ChEBI Ontology
Outgoing N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-Acetamido-2-[[(3R,4R,5S,6R)-3-acetamido-5-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:154660) is a amino sugar (CHEBI:28963)
Synonyms Sources
6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)-[2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranose SUBMITTER
Fuc(?1-2)Gal(?1-4)[Fuc(?1-3)]GlcNAc(?1-6)[GlcNAc(?1-3)]GalNAc SUBMITTER
WURCS=2.0/4,6,5/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1x_1-5_2*NCC/3=O][a1221m-1x_1-5][a2112h-1x_1-5]/1-2-2-3-4-3/a3-b1_a6-c1_c3-d1_c4-e1_e2-f1 SUBMITTER
Manual Xrefs Databases
G86728DD GlyTouCan
G86728DD GlyGen
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