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CHEBI:18052 - loganate

ChEBI IDCHEBI:18052
ChEBI Nameloganate
Stars
Secondary ChEBI IDsCHEBI:14524, CHEBI:25067
Last Modified13 November 2017
DownloadsMolfile
FormulaC16H23O10
Net Charge-1
Average Mass375.350
Monoisotopic Mass375.12967
SMILES[H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)[O-])[C@@]1([H])C[C@H](O)[C@@H]2C
InChIInChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/p-1/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1
InChIKeyJNNGEAWILNVFFD-CDJYTOATSA-M
ChEBI Ontology
Outgoing Relation(s)
loganate (CHEBI:18052) is a monocarboxylic acid anion (CHEBI:35757)
loganate (CHEBI:18052) is conjugate base of loganic acid (CHEBI:30632)
Incoming Relation(s)
loganic acid (CHEBI:30632) is conjugate acid of loganate (CHEBI:18052)
IUPAC Name 
(1S,4aS,6S,7R,7aS)-1-(β-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
UniProt Name  Source
loganateUniProt
Manual XrefsDatabases
C01512KEGG COMPOUND