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CHEBI:143178 - D-cellohexaonate

ChEBI IDCHEBI:143178
ChEBI NameD-cellohexaonate
Stars
ASCII NameD-cellohexaonate
Last Modified27 February 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC36H61O32
Net Charge-1
Average Mass1005.852
Monoisotopic Mass1005.31514
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIInChI=1S/C36H62O32/c37-1-7(43)26(15(46)20(51)31(57)58)64-33-22(53)16(47)28(9(3-39)60-33)66-35-24(55)18(49)30(11(5-41)62-35)68-36-25(56)19(50)29(12(6-42)63-36)67-34-23(54)17(48)27(10(4-40)61-34)65-32-21(52)14(45)13(44)8(2-38)59-32/h7-30,32-56H,1-6H2,(H,57,58)/p-1/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,32+,33+,34+,35+,36+/m1/s1
InChIKeyVNXNZTVFRFQYHM-WLFNWXPVSA-M
ChEBI Ontology
Outgoing Relation(s)
D-cellohexaonate (CHEBI:143178) is a gluconates (CHEBI:33804)
Synonym  Source
β-D-glucosyl-(1→4)-β-D-glucosyl-(1→4)-β-D-glucosyl-(1→4)-β-D-glucosyl-(1→4)-β-D-glucosyl-(1→4)-D-gluconateSUBMITTER
UniProt Name  Source
D-cellohexaonateUniProt