EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:149103 - (2R,3R,4R)-2-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid

ChEBI IDCHEBI:149103
ChEBI Name(2R,3R,4R)-2-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H21NO21S3
Net Charge0
Average Mass635.509
Monoisotopic Mass634.97682
SMILESCC(=O)N[C@H]1C(O)O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H]1O[C@@H]1OC(C(=O)O)=C(O)[C@H](O)[C@H]1OS(=O)(=O)O
WURCSWURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O_4*OSO/3=O/3=O_6*OSO/3=O/3=O][a21EEA-1a_1-5_2*OSO/3=O/3=O]/1-2/a3-b1
InChIInChI=1S/C14H21NO21S3/c1-3(16)15-5-9(8(35-38(25,26)27)4(32-13(5)21)2-31-37(22,23)24)33-14-11(36-39(28,29)30)7(18)6(17)10(34-14)12(19)20/h4-5,7-9,11,13-14,17-18,21H,2H2,1H3,(H,15,16)(H,19,20)(H,22,23,24)(H,25,26,27)(H,28,29,30)/t4-,5-,7+,8+,9-,11-,13?,14-/m1/s1
InChIKeyGMQALDKNVKSRFH-KGOWDALBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R)-2-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:149103) is a amino sugar (CHEBI:28963)
Manual XrefsDatabases
G25267WVGlyTouCan
G25267WVGlyGen