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CHEBI:190553 - ADBICA N-pentanoic acid metabolite

ChEBI IDCHEBI:190553
ChEBI NameADBICA N-pentanoic acid metabolite
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N3O4
Net Charge0
Average Mass373.453
Monoisotopic Mass373.20016
SMILESCC(C)(C)C(NC(=O)c1cn(CCCCC(=O)O)c2ccccc12)C(N)=O
InChIInChI=1S/C20H27N3O4/c1-20(2,3)17(18(21)26)22-19(27)14-12-23(11-7-6-10-16(24)25)15-9-5-4-8-13(14)15/h4-5,8-9,12,17H,6-7,10-11H2,1-3H3,(H2,21,26)(H,22,27)(H,24,25)
InChIKeyYFFKBKQHLMKTJY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
ADBICA N-pentanoic acid metabolite (CHEBI:190553) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
5-[3-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoyl]indol-1-yl]pentanoic acid
Manual XrefsDatabases
29763747ChemSpider