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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[4-[[4-(aminomethyl)cyclohexyl]-oxomethoxy]phenyl]propanoic acid
ChEBI ID CHEBI:94638
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H23NO4
Net Charge 0
Average Mass 305.369
Monoisotopic Mass 305.163
InChI InChI=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)
InChIKey FHRSHSOEWXUORL-UHFFFAOYSA-N
SMILES C1CC(CCC1CN)C(=O)OC2=CC=C(C=C2)CCC(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
LSM-5599 LINCS
View more database links