CHEBI:58515 - ectoine zwitterion

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ChEBI Name ectoine zwitterion ChEBI ID CHEBI:58515 Definition A zwitterion obtained by transfer of a proton from the carboxy group to the nitrogen α to the carboxy group. The major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. 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 C6H10N2O2 Net Charge 0 Average Mass 142.15580 Monoisotopic Mass 142.07423 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)/t5-/m0/s1 InChIKey WQXNXVUDBPYKBA-YFKPBYRVSA-N SMILES CC1=[NH+][C@@H](CCN1)C([O-])=O ChEBI Ontology Outgoing ectoine zwitterion (CHEBI:58515) is a zwitterion (CHEBI:27369) ectoine zwitterion (CHEBI:58515) is tautomer of ectoine (CHEBI:27592) Incoming ectoine (CHEBI:27592) is tautomer of ectoine zwitterion (CHEBI:58515) IUPAC Name (6S)-2-methyl-3,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylate Synonym Source L-ectoine UniProt Manual Xref Database ECTOINE MetaCyc View more database links Last Modified 28 February 2017