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CHEBI:148082 - (2R,3R,4R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

ChEBI IDCHEBI:148082
ChEBI Name(2R,3R,4R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC23H36O21
Net Charge0
Average Mass648.520
Monoisotopic Mass648.17491
SMILESO=C(O)C1=C(O)[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3O)[C@@H]2O)O1
WURCSWURCS=2.0/3,4,3/[a212h-1b_1-5][a2112h-1b_1-5][a21EEA-1a_1-5]/1-2-2-3/a4-b1_b3-c1_c3-d1
InChIInChI=1S/C23H36O21/c24-1-4-8(27)16(14(33)22(39-4)41-6-3-38-20(37)12(31)7(6)26)43-23-15(34)17(9(28)5(2-25)40-23)42-21-13(32)10(29)11(30)18(44-21)19(35)36/h4-10,12-17,20-34,37H,1-3H2,(H,35,36)/t4-,5-,6-,7+,8+,9+,10+,12-,13-,14-,15-,16+,17+,20-,21-,22+,23+/m1/s1
InChIKeyGPQSITGBIAOOCN-CXPNZRDFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:148082) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G19073DYGlyTouCan
G19073DYGlyGen