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CHEBI:153212 - N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide

ChEBI IDCHEBI:153212
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC40H70N2O30
Net Charge0
Average Mass1058.984
Monoisotopic Mass1058.40134
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](NC(C)=O)[C@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)CO)O[C@@H]3CO)[C@@H]2O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/5,6,5/[h2112h][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5][a2112h-1a_1-5]/1-2-3-4-2-5/a3-b1_b3-c1_b4-d1_d3-e1_e6-f1
InChIInChI=1S/C40H70N2O30/c1-10-21(52)27(58)30(61)39(64-10)71-34-20(42-12(3)49)37(69-32(14(51)5-44)22(53)13(50)4-43)67-17(8-47)33(34)70-40-31(62)35(25(56)16(7-46)66-40)72-36-19(41-11(2)48)26(57)24(55)18(68-36)9-63-38-29(60)28(59)23(54)15(6-45)65-38/h10,13-40,43-47,50-62H,4-9H2,1-3H3,(H,41,48)(H,42,49)/t10-,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
InChIKeyLYLVUPRNQZVNAI-IHICBGMYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide (CHEBI:153212) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G71730FGGlyTouCan
G71730FGGlyGen