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CHEBI:98247 - LSM-9626

ChEBI IDCHEBI:98247
ChEBI NameLSM-9626
Stars
DownloadsMolfile
FormulaC30H35N3O5S2
Net Charge0
Average Mass581.760
Monoisotopic Mass581.20181
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccsc1
InChIInChI=1S/C30H35N3O5S2/c1-20-15-33(21(2)17-34)30(35)29-28(25-11-7-8-12-26(25)32(29)4)24-10-6-5-9-22(24)18-38-27(20)16-31(3)40(36,37)23-13-14-39-19-23/h5-14,19-21,27,34H,15-18H2,1-4H3/t20-,21+,27+/m1/s1
InChIKeyXFTZCOPLMXQWPM-BUEREQSYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
LSM-9626 (CHEBI:98247) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-9626LINCS