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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[[2-[4-(2-adamantyl)phenoxy]-1-oxoethyl]amino]-4-hydroxybenzoic acid methyl ester
ChEBI ID CHEBI:94790
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H29NO5
Net Charge 0
Average Mass 435.513
Monoisotopic Mass 435.20457
InChI InChI=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)
InChIKey CSCOJWVRGOZGPK-UHFFFAOYSA-N
SMILES COC(=O)C1=CC(=C(C=C1)O)NC(=O)COC2=CC=C(C=C2)C3C4CC5CC3CC(C4)C5
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-[[2-[4-(2-adamantyl)phenoxy]-1-oxoethyl]amino]-4-hydroxybenzoic acid methyl ester (CHEBI:94790) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-5939 LINCS
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