CHEBI:63475 - ectoinate

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ChEBI Name ectoinate ChEBI ID CHEBI:63475 Definition A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of ectoine. Stars This entity has been manually annotated by the ChEBI Team. Submitter Harold Drabkin Supplier Information ZINC000072142408 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H9N2O2 Net Charge -1 Average Mass 141.14790 Monoisotopic Mass 141.06695 InChI InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/p-1/t5-/m0/s1 InChIKey WQXNXVUDBPYKBA-YFKPBYRVSA-M SMILES CC1=N[C@@H](CCN1)C([O-])=O ChEBI Ontology Outgoing ectoinate (CHEBI:63475) is a monocarboxylic acid anion (CHEBI:35757) ectoinate (CHEBI:63475) is conjugate base of ectoine (CHEBI:27592) Incoming ectoine (CHEBI:27592) is conjugate acid of ectoinate (CHEBI:63475) IUPAC Name (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate Synonyms Sources ectoine anion SUBMITTER ectoine(1−) ChEBI Last Modified 06 January 2012