CHEBI:101706 - LSM-13069

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-13069
ChEBI ID CHEBI:101706
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H20N2O5
Net Charge 0
Average Mass 332.352
Monoisotopic Mass 332.13722
InChI InChI=1S/C17H20N2O5/c1-24-17(23)14-10(8-20)12-7-18-11(3-2-4-13(18)21)15(14)19(12)16(22)9-5-6-9/h2-4,9-10,12,14-15,20H,5-8H2,1H3/t10-,12-,14+,15+/m0/s1
InChIKey KUBNHDDGXKERLH-OBCWZRDOSA-N
SMILES COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@H]1N2C(=O)C4CC4)CO
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 LSM-13069 (CHEBI:101706) is a carboxylic acid (CHEBI:33575)
LSM-13069 (CHEBI:101706) is a pyrrolidinecarboxylic acid (CHEBI:46767)
Manual Xref Database
LSM-13069 LINCS
View more database links