CHEBI:76846 - 7-deoxyloganetate

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ChEBI Name 7-deoxyloganetate ChEBI ID CHEBI:76846 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information ChemicalBook:CB2409023, eMolecules:17665709, eMolecules:29913747, eMolecules:35779400, eMolecules:36749934, eMolecules:1937450, eMolecules:24639358 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H13O4 Net Charge -1 Average Mass 197.20840 Monoisotopic Mass 197.08193 InChI InChI=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 InChIKey DKGYTSKPMLWLEI-FIZOKRMRSA-M SMILES C[C@H]1CC[C@H]2[C@@H]1[C@H](O)OC=C2C([O-])=O ChEBI Ontology Outgoing 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 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 Synonym Source 7-deoxyloganetate UniProt Manual Xref Database CPD-9980 MetaCyc View more database links Citation Last Modified 13 September 2018