CHEBI:143175 - D-cellotrionate

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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 D-cellotrionate
ChEBI ID CHEBI:143175
ChEBI ASCII Name D-cellotrionate
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C18H31O17
Net Charge -1
Average Mass 519.430
Monoisotopic Mass 519.15667
InChI InChI=1S/C18H32O17/c19-1-4(22)14(9(25)11(27)16(30)31)34-18-13(29)10(26)15(6(3-21)33-18)35-17-12(28)8(24)7(23)5(2-20)32-17/h4-15,17-29H,1-3H2,(H,30,31)/p-1/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,17+,18+/m1/s1
InChIKey YFLYSNSGNLXMJW-REIOPUSASA-M
SMILES O([C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@@H]2[C@H](O[C@@H](O[C@H]([C@@H](CO)O)[C@@H]([C@H](C([O-])=O)O)O)[C@@H]([C@H]2O)O)CO
ChEBI Ontology
Outgoing D-cellotrionate (CHEBI:143175) is a gluconates (CHEBI:33804)
Synonyms Sources
β-D-glucosyl-(1→4)-β-D-glucosyl-(1→4)-D-gluconate SUBMITTER
D-cellotrionate UniProt
Last Modified
27 February 2024