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CHEBI:97721 - LSM-9100

ChEBI IDCHEBI:97721
ChEBI NameLSM-9100
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DownloadsMolfile
FormulaC31H36N2O5
Net Charge0
Average Mass516.638
Monoisotopic Mass516.26242
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccc(C(=O)O)c2)OCc2ccccc2-c2ccccc2C1=O
InChIInChI=1S/C31H36N2O5/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-25(26)20-38-29(21)18-32(3)17-23-9-8-11-24(15-23)31(36)37/h4-15,21-22,29,34H,16-20H2,1-3H3,(H,36,37)/t21-,22+,29+/m0/s1
InChIKeyQELHGDMSGADVOM-DKGMKSHISA-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-9100 (CHEBI:97721) is a benzoic acids (CHEBI:22723)
Manual XrefsDatabases
LSM-9100LINCS