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
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