CHEBI:155476 - (2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-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-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:155476
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C14H23NO15S
Net Charge 0
Average Mass 477.390
Monoisotopic Mass 477.07884
InChI InChI=1S/C14H23NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/t4-,5-,6+,7+,8-,9+,10-,11+,13?,14-/m1/s1
InChIKey AVJBPWGFOQAPRH-OXYCQSMUSA-N
SMILES S(O[C@@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](NC(=O)C)C(O[C@@H]1CO)O)(O)(=O)=O
ChEBI Ontology
Outgoing (2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:155476) is a amino sugar (CHEBI:28963)
Synonyms Sources
beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4-O-sulfo-D-galacto-hexopyranose SUBMITTER
GlcA(b1-3)GalNAc4S SUBMITTER
WURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a2122A-1b_1-5]/1-2/a3-b1 SUBMITTER
Manual Xrefs Databases
G92988PL GlyTouCan
G92988PL GlyGen
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