EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:94638 - 3-[4-[[4-(aminomethyl)cyclohexyl]-oxomethoxy]phenyl]propanoic acid

ChEBI IDCHEBI:94638
ChEBI Name3-[4-[[4-(aminomethyl)cyclohexyl]-oxomethoxy]phenyl]propanoic acid
Stars
DownloadsMolfile
FormulaC17H23NO4
Net Charge0
Average Mass305.374
Monoisotopic Mass305.16271
SMILESNCC1CCC(C(=O)Oc2ccc(CCC(=O)O)cc2)CC1
InChIInChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)
InChIKeyFHRSHSOEWXUORL-UHFFFAOYSA-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)
3-[4-[[4-(aminomethyl)cyclohexyl]-oxomethoxy]phenyl]propanoic acid (CHEBI:94638) is a benzenes (CHEBI:22712)
3-[4-[[4-(aminomethyl)cyclohexyl]-oxomethoxy]phenyl]propanoic acid (CHEBI:94638) is a monocarboxylic acid (CHEBI:25384)
Manual XrefsDatabases
LSM-5599LINCS