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CHEBI:152356 - N-[(3R,4R,5S,6R)-2-[(3R,4S,5S,6R)-2-[(3R,4R,5S,6R)-3-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:152356
ChEBI NameN-[(3R,4R,5S,6R)-2-[(3R,4S,5S,6R)-2-[(3R,4R,5S,6R)-3-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC42H71N3O30
Net Charge0
Average Mass1098.021
Monoisotopic Mass1097.41224
SMILESCC(=O)N[C@H]1C(O[C@H]2[C@@H](O)[C@@H](CO)OC(O[C@H]3[C@H](O)[C@@H](CO)OC(OC[C@H]4OC(O)[C@H](NC(C)=O)[C@@H](OC5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H]3NC(C)=O)[C@@H]2OC2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,6,5/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5][a2122h-1x_1-5_2*NCC/3=O][a1221m-1x_1-5]/1-2-3-2-4-3/a3-b1_a6-c1_c3-d1_d2-e1_d3-f1
InChIInChI=1S/C42H71N3O30/c1-10-22(53)29(60)31(62)40(66-10)75-36-35(74-39-19(43-11(2)50)28(59)23(54)14(5-46)69-39)26(57)17(8-49)71-42(36)73-34-21(45-13(4)52)38(68-16(7-48)25(34)56)65-9-18-27(58)33(20(37(64)67-18)44-12(3)51)72-41-32(63)30(61)24(55)15(6-47)70-41/h10,14-42,46-49,53-64H,5-9H2,1-4H3,(H,43,50)(H,44,51)(H,45,52)/t10-,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?/m0/s1
InChIKeyIKWDDZFEXMMNSG-PWODGVPESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5S,6R)-2-[(3R,4S,5S,6R)-2-[(3R,4R,5S,6R)-3-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:152356) is a amino sugar (CHEBI:28963)
Synonyms  Source
6-deoxy-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)]-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)-[D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Fuc(?1-2)[GlcNAc(?1-3)]Gal(?1-3)GlcNAc(?1-6)[Gal(?1-3)]GalNAcSUBMITTER
Manual XrefsDatabases
G58859HDGlyTouCan
G58859HDGlyGen