EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:150928 - (2S,3S,4S,5R,6R)-6-[(2S,3R,4R,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-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:150928
ChEBI Name(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,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-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-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](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)O[C@H](CO)[C@@H]2OS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a212h-1b_1-5][a2112h-1b_1-5][a2112h-1b_1-5_4*OSO/3=O/3=O][a2122A-1b_1-5]/1-2-3-4/a4-b1_b3-c1_c3-d1
InChIInChI=1S/C23H38O24S/c24-1-4-8(27)16(13(32)22(41-4)43-6-3-40-20(36)11(30)7(6)26)44-23-14(33)17(15(5(2-25)42-23)47-48(37,38)39)45-21-12(31)9(28)10(29)18(46-21)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
InChIKeyJVYQDYPRBWEDIM-PDZKZLILSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,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-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:150928) is a oligosaccharide sulfate (CHEBI:37909)
Synonyms  Source
beta-D-gluco-hexopyranosyluronic acid-(1->3)-4-O-sulfo-beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-xylo-pentopyranoseSUBMITTER
GlcA(b1-3)Gal4S(b1-3)Gal(b1-4)b-XylSUBMITTER
Manual XrefsDatabases
G44538VTGlyTouCan
G44538VTGlyGen