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InChI=1S/CH4O/c1-2/h2H,1H3
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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
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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
(4
S
)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate
Synonyms
Sources
ectoine anion
SUBMITTER
ectoine(1−)
ChEBI
Last Modified
06 January 2012