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CHEBI:76846 - 7-deoxyloganetate

ChEBI IDCHEBI:76846
ChEBI Name7-deoxyloganetate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of 7-deoxyloganetic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified13 September 2018
SubmitterKAX
DownloadsMolfile
FormulaC10H13O4
Net Charge-1
Average Mass197.210
Monoisotopic Mass197.08193
SMILES[H][C@]12[C@H](O)OC=C(C(=O)[O-])[C@@]1([H])CC[C@@H]2C
InChIInChI=1S/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/p-1/t5-,6+,8+,10+/m0/s1
InChIKeyDKGYTSKPMLWLEI-FIZOKRMRSA-M
ChEBI Ontology
Outgoing Relation(s)
7-deoxyloganetate (CHEBI:76846) is a monocarboxylic acid anion (CHEBI:35757)
7-deoxyloganetate (CHEBI:76846) is conjugate base of 7-deoxyloganetic acid (CHEBI:77027)
Incoming Relation(s)
7-deoxyloganetic acid (CHEBI:77027) is conjugate acid of 7-deoxyloganetate (CHEBI:76846)
IUPAC Name 
(1R,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
UniProt Name  Source
7-deoxyloganetateUniProt
Manual XrefsDatabases
CPD-9980MetaCyc
Citations