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CHEBI:119412 - LSM-30861

ChEBI IDCHEBI:119412
ChEBI NameLSM-30861
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DownloadsMolfile
FormulaC27H35N3O5S
Net Charge0
Average Mass513.660
Monoisotopic Mass513.22974
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)S(C)(=O)=O
InChIInChI=1S/C27H35N3O5S/c1-18-14-30(19(2)16-31)27(32)26-25(22-12-8-9-13-23(22)29(26)4)21-11-7-6-10-20(21)17-35-24(18)15-28(3)36(5,33)34/h6-13,18-19,24,31H,14-17H2,1-5H3/t18-,19-,24-/m1/s1
InChIKeyWFOXSFCEMNKJBZ-KHCICDEESA-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-30861 (CHEBI:119412) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-30861LINCS