CHEBI:113066 - LSM-24476

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-24476
ChEBI ID CHEBI:113066
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H24N2O5S
Net Charge 0
Average Mass 524.589
Monoisotopic Mass 524.14059
InChI InChI=1S/C30H24N2O5S/c1-36-24-12-5-4-11-22(24)28-23-14-13-19-8-2-3-10-21(19)27(23)31-30-32(28)29(35)25(38-30)16-18-7-6-9-20(15-18)37-17-26(33)34/h2-12,15-16,28H,13-14,17H2,1H3,(H,33,34)
InChIKey XCPQKGPAGJNOBL-UHFFFAOYSA-N
SMILES COC1=CC=CC=C1C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC(=CC=C6)OCC(=O)O)S5
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-24476 (CHEBI:113066) is a monocarboxylic acid (CHEBI:25384)
Manual Xref Database
LSM-24476 LINCS
View more database links