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 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 Type Source 24104568 PubMed citation SUBMITTER Last Modified 13 September 2018