CHEBI:99200 - LSM-10579

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-10579
ChEBI ID CHEBI:99200
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H19N3O4S
Net Charge 0
Average Mass 361.417
Monoisotopic Mass 361.10963
InChI InChI=1S/C17H19N3O4S/c1-24-17(23)15-10(9-21)12-7-19-11(3-2-4-14(19)22)16(15)20(12)8-13-18-5-6-25-13/h2-6,10,12,15-16,21H,7-9H2,1H3/t10-,12-,15+,16+/m0/s1
InChIKey AQWQARACBBXMKO-GDJRKYJOSA-N
SMILES COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@H]1N2CC4=NC=CS4)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-10579 (CHEBI:99200) is a carboxylic acid (CHEBI:33575)
LSM-10579 (CHEBI:99200) is a pyrrolidinecarboxylic acid (CHEBI:46767)
Manual Xref Database
LSM-10579 LINCS
View more database links