EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:153097 - (2R,3S,4S,5R,6R)-4,6-Dihydroxy-3-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-(sulfoamino)-4-sulfooxyoxan-2-yl]oxy-5-sulfooxyoxane-2-carboxylic acid

ChEBI IDCHEBI:153097
ChEBI Name(2R,3S,4S,5R,6R)-4,6-Dihydroxy-3-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-(sulfoamino)-4-sulfooxyoxan-2-yl]oxy-5-sulfooxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H21NO20S3
Net Charge0
Average Mass595.488
Monoisotopic Mass594.98191
SMILESO=C(O)[C@@H]1O[C@@H](O)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]1NS(=O)(=O)O
WURCSWURCS=2.0/2,2,1/[a2121A-1a_1-5_2*OSO/3=O/3=O][a2122h-1a_1-5_2*NSO/3=O/3=O_3*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C12H21NO20S3/c14-1-2-4(15)6(32-35(23,24)25)3(13-34(20,21)22)12(29-2)31-7-5(16)8(33-36(26,27)28)11(19)30-9(7)10(17)18/h2-9,11-16,19H,1H2,(H,17,18)(H,20,21,22)(H,23,24,25)(H,26,27,28)/t2-,3-,4-,5+,6-,7+,8-,9-,11-,12-/m1/s1
InChIKeySWEODCAYHXGBIO-NFQZJUHOSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5R,6R)-4,6-Dihydroxy-3-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-(sulfoamino)-4-sulfooxyoxan-2-yl]oxy-5-sulfooxyoxane-2-carboxylic acid (CHEBI:153097) is a O-acyl carbohydrate (CHEBI:52782)
Synonyms  Source
2-deoxy-3-O-sulfo-2-sulfoamino-alpha-D-gluco-hexopyranosyl-(1->4)-2-O-sulfo-alpha-L-ido-hexopyranuronic acidSUBMITTER
GlcNS3S(a1-4)a-IdoA2SSUBMITTER
Manual XrefsDatabases
G68366MIGlyTouCan
G68366MIGlyGen