CHEBI:173695 - O-Desmethyl-lacosamide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name O-Desmethyl-lacosamide
ChEBI ID CHEBI:173695
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H16N2O3
Net Charge 0
Average Mass 236.271
Monoisotopic Mass 236.11609
InChI InChI=1S/C12H16N2O3/c1-9(16)14-11(8-15)12(17)13-7-10-5-3-2-4-6-10/h2-6,11,15H,7-8H2,1H3,(H,13,17)(H,14,16)/t11-/m1/s1
InChIKey XRKSCJLQKGLSKU-LLVKDONJSA-N
SMILES OC[C@@H](NC(=O)C)C(=O)NCC1=CC=CC=C1
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 O-Desmethyl-lacosamide (CHEBI:173695) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name
(2R)-2-acetamido-N-benzyl-3-hydroxypropanamide
Manual Xrefs Databases
9065165 ChemSpider
HMDB0060855 HMDB
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Registry Number Type Source
175481-38-6 CAS Registry Number ChemIDplus