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CHEBI:133610 - N-isobutyrylglycinate

ChEBI IDCHEBI:133610
ChEBI NameN-isobutyrylglycinate
Stars
ASCII NameN-isobutyrylglycinate
DefinitionA monocarboxylic acid anion that is the conjugate base of N-isobutyrylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified12 October 2016
Submitterjjtluanloet
DownloadsMolfile
FormulaC6H10NO3
Net Charge-1
Average Mass144.150
Monoisotopic Mass144.06662
SMILESCC(C)C(=O)NCC(=O)[O-]
InChIInChI=1S/C6H11NO3/c1-4(2)6(10)7-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)/p-1
InChIKeyDCICDMMXFIELDF-UHFFFAOYSA-M
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
N-isobutyrylglycinate (CHEBI:133610) has role human urinary metabolite (CHEBI:84087)
N-isobutyrylglycinate (CHEBI:133610) is a N-acylglycinate (CHEBI:57670)
N-isobutyrylglycinate (CHEBI:133610) is a monocarboxylic acid anion (CHEBI:35757)
N-isobutyrylglycinate (CHEBI:133610) is conjugate base of N-isobutyrylglycine (CHEBI:70979)
Incoming Relation(s)
N-isobutyrylglycine (CHEBI:70979) is conjugate acid of N-isobutyrylglycinate (CHEBI:133610)
IUPAC Name 
(2-methylpropanamido)acetate
Synonyms  Source
isobutanoylglycinateChEBI
isobutyrylglycinateChEBI
N-isobutanoylglycinateChEBI
N-(2-methylpropanoyl)glycinateChEBI
Manual XrefsDatabases
HMDB0000730HMDB