CHEBI:151796 - (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2S,3S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4-hydroxy-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,6R)-5-Acetamido-6-[(2S,3S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:151796
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C20H31NO18
Net Charge 0
Average Mass 573.457
Monoisotopic Mass 573.15411
InChI InChI=1S/C20H31NO18/c1-3(23)21-5-6(24)12(37-20-11(29)7(25)8(26)14(39-20)16(30)31)4(2-22)35-19(5)38-13-9(27)10(28)18(34)36-15(13)17(32)33/h4-15,18-20,22,24-29,34H,2H2,1H3,(H,21,23)(H,30,31)(H,32,33)/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13+,14+,15+,18?,19-,20-/m1/s1
InChIKey NOGBGQPTLVZXJG-DICUPYAKSA-N
SMILES O1[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O[C@@H]2C(O)=O)O)[C@H](NC(=O)C)[C@@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]1CO
ChEBI Ontology
Outgoing (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2S,3S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:151796) is a oligosaccharide (CHEBI:50699)
Synonyms Sources
beta-D-gluco-hexopyranosyluronic acid-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranuronic acid SUBMITTER
GlcA(b1-4)GlcNAc(a1-4)GlcA SUBMITTER
WURCS=2.0/3,3,2/[a2122A-1x_1-5][a2122h-1a_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2-3/a4-b1_b4-c1 SUBMITTER
Manual Xrefs Databases
G54198AU GlyTouCan
G54198AU GlyGen
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