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CHEBI:153022 - (2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

ChEBI IDCHEBI:153022
ChEBI Name(2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC23H38O24S
Net Charge0
Average Mass730.600
Monoisotopic Mass730.14737
SMILESO=C(O)[C@H]1O[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]4COC(O)[C@H](O)[C@H]4O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[a212h-1x_1-5][a2112h-1b_1-5][a2122A-1b_1-5_3*OSO/3=O/3=O]/1-2-2-3/a4-b1_b3-c1_c3-d1
InChIInChI=1S/C23H38O24S/c24-1-4-8(27)15(12(31)21(41-4)43-6-3-40-20(36)10(29)7(6)26)44-22-13(32)16(9(28)5(2-25)42-22)45-23-14(33)17(47-48(37,38)39)11(30)18(46-23)19(34)35/h4-18,20-33,36H,1-3H2,(H,34,35)(H,37,38,39)/t4-,5-,6-,7+,8+,9+,10-,11+,12-,13-,14-,15+,16+,17+,18+,20?,21+,22+,23-/m1/s1
InChIKeyPVPRPVUBRPJVKO-DVEOQOHZSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid (CHEBI:153022) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
3-O-sulfo-beta-D-gluco-hexopyranosyluronic acid-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-D-xylo-pentopyranoseSUBMITTER
GlcA3S(b1-3)Gal(b1-3)Gal(b1-4)XylSUBMITTER
Manual XrefsDatabases
G67838AFGlyTouCan
G67838AFGlyGen