EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:153358 - (2S,4S,5R,6R)-5-Acetamido-4-acetyloxy-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:153358
ChEBI Name(2S,4S,5R,6R)-5-Acetamido-4-acetyloxy-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC25H41NO20
Net Charge0
Average Mass675.590
Monoisotopic Mass675.22219
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](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1OC(C)=O
WURCSWURCS=2.0/3,3,2/[a2122h-1x_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_4*OCC/3=O_5*NCC/3=O]/1-2-3/a4-b1_b3-c2
InChIInChI=1S/C25H41NO20/c1-7(30)26-13-10(41-8(2)31)3-25(24(39)40,45-20(13)14(33)9(32)4-27)46-21-15(34)11(5-28)43-23(18(21)37)44-19-12(6-29)42-22(38)17(36)16(19)35/h9-23,27-29,32-38H,3-6H2,1-2H3,(H,26,30)(H,39,40)/t9-,10+,11-,12-,13-,14-,15+,16-,17-,18-,19-,20-,21+,22?,23+,25+/m1/s1
InChIKeyBACLTUCCYMODAV-WEDXUYLESA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-5-Acetamido-4-acetyloxy-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:153358) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
5-acetamido-4-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranoseSUBMITTER
NeuAc4Ac(a2-3)Gal(b1-4)GlcSUBMITTER
Manual XrefsDatabases
G69801MTGlyGen
G69801MTGlyTouCan