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CHEBI:63475 - ectoinate

ChEBI IDCHEBI:63475
ChEBI Nameectoinate
Stars
DefinitionA monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of ectoine.
Last Modified6 January 2012
Submitterhdrabkin
DownloadsMolfile
FormulaC6H9N2O2
Net Charge-1
Average Mass141.150
Monoisotopic Mass141.06695
SMILESCC1=N[C@H](C(=O)[O-])CCN1
InChIInChI=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
InChIKeyWQXNXVUDBPYKBA-YFKPBYRVSA-M
ChEBI Ontology
Outgoing Relation(s)
ectoinate (CHEBI:63475) is a monocarboxylic acid anion (CHEBI:35757)
ectoinate (CHEBI:63475) is conjugate base of ectoine (CHEBI:27592)
Incoming Relation(s)
ectoine (CHEBI:27592) is conjugate acid of ectoinate (CHEBI:63475)
IUPAC Name 
(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate
Synonyms  Source
ectoine anionSUBMITTER
ectoine(1−)ChEBI