CHEBI:102543 - LSM-13890

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-13890
ChEBI ID CHEBI:102543
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H36F3N3O4
Net Charge 0
Average Mass 559.621
Monoisotopic Mass 559.26579
InChI InChI=1S/C30H36F3N3O4/c1-19-15-36(20(2)17-37)29(39)28-27(23-11-7-8-12-24(23)35(28)4)22-10-6-5-9-21(22)18-40-25(19)16-34(3)26(38)13-14-30(31,32)33/h5-12,19-20,25,37H,13-18H2,1-4H3/t19-,20+,25+/m0/s1
InChIKey RDYUFLZMPZQAJV-WZOHSFFVSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)C4=CC=CC=C4N2C)[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-13890 (CHEBI:102543) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-13890 LINCS
View more database links