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CHEBI:146599 - N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,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:146599
ChEBI NameN-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,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
FormulaC28H50N2O20
Net Charge0
Average Mass734.702
Monoisotopic Mass734.29569
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](CO)NC(C)=O)[C@@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4/a3-b1_b2-c1_b3-d1
InChIInChI=1S/C28H50N2O20/c1-8-16(38)21(43)22(44)27(45-8)50-25-24(49-26-15(30-10(3)36)20(42)18(40)13(6-33)46-26)19(41)14(7-34)47-28(25)48-23(17(39)12(37)5-32)11(4-31)29-9(2)35/h8,11-28,31-34,37-44H,4-7H2,1-3H3,(H,29,35)(H,30,36)/t8-,11-,12+,13+,14+,15+,16+,17-,18-,19-,20+,21+,22-,23+,24-,25+,26+,27-,28-/m0/s1
InChIKeyLCAHBCHZEZDXEA-CMLIRYBWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,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:146599) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G02020YOGlyTouCan
G02020YOGlyGen