CHEBI:101339 - LSM-12704

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12704
ChEBI ID CHEBI:101339
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C32H36FN3O5S
Net Charge 0
Average Mass 593.711
Monoisotopic Mass 593.23597
InChI InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-14-7-8-15-28(27)35(31)4)26-13-6-5-10-23(26)20-41-29(21)18-34(3)42(39,40)25-12-9-11-24(33)16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29+/m0/s1
InChIKey QBEIQJOXWRLXRW-DKGMKSHISA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)C5=CC=CC=C5N2C)[C@H](C)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-12704 (CHEBI:101339) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-12704 LINCS
View more database links