EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:153058 - (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(sulfooxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

ChEBI IDCHEBI:153058
ChEBI Name(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(sulfooxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC23H39NO22S
Net Charge0
Average Mass713.617
Monoisotopic Mass713.16844
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](COS(=O)(=O)O)O[C@@H](OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1x_1-5][a2112h-1b_1-5_6*OSO/3=O/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a6-b1_b3-c2
InChIInChI=1S/C23H39NO22S/c1-6(26)24-11-7(27)2-23(22(36)37,45-18(11)12(29)8(28)3-25)46-19-14(31)10(5-42-47(38,39)40)44-21(17(19)34)41-4-9-13(30)15(32)16(33)20(35)43-9/h7-21,25,27-35H,2-5H2,1H3,(H,24,26)(H,36,37)(H,38,39,40)/t7-,8+,9+,10+,11+,12+,13+,14-,15-,16+,17+,18+,19-,20?,21+,23-/m0/s1
InChIKeyWANDZWUXDJHGTC-SQKATTBRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(sulfooxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:153058) is a oligosaccharide sulfate (CHEBI:37909)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-6-O-sulfo-beta-D-galacto-hexopyranosyl-(1->6)-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal6S(b1-6)GlcSUBMITTER
Manual XrefsDatabases
G68158OVGlyTouCan
G68158OVGlyGen