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CHEBI:120071 - LSM-31514

ChEBI IDCHEBI:120071
ChEBI NameLSM-31514
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)c1cccs1
InChIInChI=1S/C30H35N3O5S2/c1-20-16-33(21(2)18-34)30(35)29-28(24-12-7-8-13-25(24)32(29)4)23-11-6-5-10-22(23)19-38-26(20)17-31(3)40(36,37)27-14-9-15-39-27/h5-15,20-21,26,34H,16-19H2,1-4H3/t20-,21+,26-/m1/s1
InChIKeyOMNPDJXLWRDGEE-YZIHRLCOSA-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-31514 (CHEBI:120071) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-31514LINCS