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CHEBI:74099 - N-octanoylglycine

ChEBI IDCHEBI:74099
ChEBI NameN-octanoylglycine
Stars
ASCII NameN-octanoylglycine
DefinitionAn N-acylglycine that has octanoyl as the acyl group.
Last Modified2 December 2018
Submittermwilliams
DownloadsMolfile
FormulaC10H19NO3
Net Charge0
Average Mass201.266
Monoisotopic Mass201.13649
SMILESCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)
InChIKeySAVLIIGUQOSOEP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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-octanoylglycine (CHEBI:74099) has functional parent glycine (CHEBI:15428)
N-octanoylglycine (CHEBI:74099) has functional parent octanoic acid (CHEBI:28837)
N-octanoylglycine (CHEBI:74099) has role metabolite (CHEBI:25212)
N-octanoylglycine (CHEBI:74099) is a N-acylglycine (CHEBI:16180)
N-octanoylglycine (CHEBI:74099) is a fatty amide (CHEBI:29348)
N-octanoylglycine (CHEBI:74099) is conjugate acid of N-octanoylglycinate (CHEBI:142681)
Incoming Relation(s)
N-octanoylglycinate (CHEBI:142681) is conjugate base of N-octanoylglycine (CHEBI:74099)
IUPAC Name 
N-octanoylglycine
Synonyms  Source
N-(1-Oxooctyl)glycineHMDB
2-octanamidoacetic acidHMDB
CaprylylglycineHMDB
capryloylglycineChEBI
Manual XrefsDatabases
HMDB0000832HMDB
FDB022273FooDB
Registry NumbersSources
Reaxys:2209293Reaxys
CAS:14246-53-8ChemIDplus