EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:94790 - 3-[[2-[4-(2-adamantyl)phenoxy]-1-oxoethyl]amino]-4-hydroxybenzoic acid methyl ester

ChEBI IDCHEBI:94790
ChEBI Name3-[[2-[4-(2-adamantyl)phenoxy]-1-oxoethyl]amino]-4-hydroxybenzoic acid methyl ester
Stars
DownloadsMolfile
FormulaC26H29NO5
Net Charge0
Average Mass435.520
Monoisotopic Mass435.20457
SMILESCOC(=O)c1ccc(O)c(NC(=O)COc2ccc(C3C4CC5CC(C4)CC3C5)cc2)c1
InChIInChI=1S/C26H29NO5/c1-31-26(30)18-4-7-23(28)22(13-18)27-24(29)14-32-21-5-2-17(3-6-21)25-19-9-15-8-16(11-19)12-20(25)10-15/h2-7,13,15-16,19-20,25,28H,8-12,14H2,1H3,(H,27,29)
InChIKeyCSCOJWVRGOZGPK-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-[[2-[4-(2-adamantyl)phenoxy]-1-oxoethyl]amino]-4-hydroxybenzoic acid methyl ester (CHEBI:94790) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-5939LINCS