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CHEBI:199919 - Caprolactin A

ChEBI IDCHEBI:199919
ChEBI NameCaprolactin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28N2O2
Net Charge0
Average Mass268.401
Monoisotopic Mass268.21508
SMILESCC(C)CCCCCC(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C15H28N2O2/c1-12(2)8-4-3-5-10-14(18)17-13-9-6-7-11-16-15(13)19/h12-13H,3-11H2,1-2H3,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyUYRISSPQCFBDAQ-ZDUSSCGKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Caprolactin A (CHEBI:199919) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
7-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide
Manual XrefsDatabases
10475718ChemSpider