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CHEBI:157352 - (2R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:157352
ChEBI Name(2R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC33H57N3O25
Net Charge0
Average Mass895.815
Monoisotopic Mass895.32811
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](CO)NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2-3-4/a3-b1_b4-c1_c6-d2
InChIInChI=1S/C33H57N3O25/c1-10(42)34-12(4-37)27(21(48)14(45)5-38)59-30-20(35-11(2)43)24(51)28(16(7-40)57-30)60-31-26(53)25(52)23(50)17(58-31)9-56-33(32(54)55)3-13(44)19(36-18(47)8-41)29(61-33)22(49)15(46)6-39/h12-17,19-31,37-41,44-46,48-53H,3-9H2,1-2H3,(H,34,42)(H,35,43)(H,36,47)(H,54,55)/t12-,13-,14+,15+,16+,17+,19+,20+,21-,22+,23-,24+,25-,26+,27+,28+,29+,30-,31-,33+/m0/s1
InChIKeyBSRSYHOQVBHSCK-ZQMDRJSNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:157352) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Manual XrefsDatabases
G32218WFGlyTouCan
G32218WFGlyGen