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CHEBI:150364 - N-[(2S,3R,4S,5R)-3-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide

ChEBI IDCHEBI:150364
ChEBI NameN-[(2S,3R,4S,5R)-3-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H47NO20
Net Charge0
Average Mass693.649
Monoisotopic Mass693.26914
SMILESCC(=O)N[C@@H](CO)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)[C@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/3,4,3/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-2/a3-b1_a6-d1_b2-c1
InChIInChI=1S/C26H47NO20/c1-7-13(33)17(37)21(41)25(43-7)47-23-19(39)16(36)12(5-30)45-26(23)46-22(9(3-28)27-8(2)31)14(34)10(32)6-42-24-20(40)18(38)15(35)11(4-29)44-24/h7,9-26,28-30,32-41H,3-6H2,1-2H3,(H,27,31)/t7-,9-,10+,11+,12+,13+,14-,15-,16-,17+,18-,19-,20+,21-,22+,23+,24+,25-,26-/m0/s1
InChIKeyGZEJRIWXVZMEJC-AQFKUIRYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4S,5R)-3-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide (CHEBI:150364) is a O-acyl carbohydrate (CHEBI:52782)
Manual XrefsDatabases
G35718GYGlyTouCan
G35718GYGlyGen