CHEBI:18052 - loganate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name loganate
ChEBI ID CHEBI:18052
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14524, CHEBI:25067
Supplier Information
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Formula C16H23O10
Net Charge -1
Average Mass 375.34782
Monoisotopic Mass 375.12967
InChI InChI=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
InChIKey JNNGEAWILNVFFD-CDJYTOATSA-M
SMILES [H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@@H](OC=C2C([O-])=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing loganate (CHEBI:18052) is a monocarboxylic acid anion (CHEBI:35757)
loganate (CHEBI:18052) is conjugate base of loganic acid (CHEBI:30632)
Incoming 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
Synonym Source
loganate UniProt
Manual Xref Database
C01512 KEGG COMPOUND
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Last Modified
13 November 2017