CHEBI:153614 - (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-Acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-Acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:153614
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C14H23NO12
Net Charge 0
Average Mass 397.333
Monoisotopic Mass 397.12203
InChI InChI=1S/C14H23NO12/c1-3(17)15-5-6(18)10(4(2-16)25-13(5)24)26-14-9(21)7(19)8(20)11(27-14)12(22)23/h4-11,13-14,16,18-21,24H,2H2,1H3,(H,15,17)(H,22,23)/t4-,5-,6-,7+,8+,9-,10-,11+,13?,14-/m1/s1
InChIKey CTOILUIGUWLSNU-ASXIHULMSA-N
SMILES O([C@H]1[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]1CO)O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O
ChEBI Ontology
Outgoing (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-Acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:153614) is a amino sugar (CHEBI:28963)
Synonyms Sources
beta-D-gluco-hexopyranosyluronic acid-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose SUBMITTER
GlcA(b1-4)GlcNAc SUBMITTER
WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2/a4-b1 SUBMITTER
Manual Xrefs Databases
G79729FH GlyTouCan
G79729FH GlyGen
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