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CHEBI:119402 - LSM-30851

ChEBI IDCHEBI:119402
ChEBI NameLSM-30851
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DownloadsMolfile
FormulaC32H36ClN3O5S
Net Charge0
Average Mass610.176
Monoisotopic Mass609.20642
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C32H36ClN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-11-7-8-12-28(27)35(31)4)26-10-6-5-9-23(26)20-41-29(21)18-34(3)42(39,40)25-15-13-24(33)14-16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29-/m1/s1
InChIKeyVJARKWPJXPJMID-UETOGOEVSA-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-30851 (CHEBI:119402) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-30851LINCS