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CHEBI:133580 - N-hexanoylglycinate

Default Structure
ChEBI IDCHEBI:133580
ChEBI NameN-hexanoylglycinate
Stars
ASCII NameN-hexanoylglycinate
DefinitionA monocarboxylic acid anion that is the conjugate base of N-hexanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified29 November 2018
Submitterjjtluanloet
DownloadsMolfile
FormulaC8H14NO3
Net Charge-1
Average Mass172.204
Monoisotopic Mass172.09792
SMILESCCCCCC(=O)NCC(=O)[O-]
InChIInChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)/p-1
InChIKeyUPCKIPHSXMXJOX-UHFFFAOYSA-M
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-hexanoylglycinate (CHEBI:133580) has role metabolite (CHEBI:25212)
N-hexanoylglycinate (CHEBI:133580) is a N-acylglycinate (CHEBI:57670)
N-hexanoylglycinate (CHEBI:133580) is a monocarboxylic acid anion (CHEBI:35757)
N-hexanoylglycinate (CHEBI:133580) is conjugate base of N-hexanoylglycine (CHEBI:64390)
Incoming Relation(s)
N-hexanoylglycine (CHEBI:64390) is conjugate acid of N-hexanoylglycinate (CHEBI:133580)
IUPAC Name 
(hexanoylamino)acetate
Synonyms  Source
N-caproylglycinateChEBI
N-hexanoylglycine(1−)ChEBI
N-hexanoylglycine anionChEBI
UniProt Name  Source
N-hexanoylglycineUniProt