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CHEBI:98592 - LSM-9971

ChEBI IDCHEBI:98592
ChEBI NameLSM-9971
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DownloadsMolfile
FormulaC35H42N4O5
Net Charge0
Average Mass598.744
Monoisotopic Mass598.31552
SMILESCOc1ccc(CNC(=O)N(C)C[C@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C35H42N4O5/c1-23-19-39(24(2)21-40)34(41)33-32(29-12-8-9-13-30(29)38(33)4)28-11-7-6-10-26(28)22-44-31(23)20-37(3)35(42)36-18-25-14-16-27(43-5)17-15-25/h6-17,23-24,31,40H,18-22H2,1-5H3,(H,36,42)/t23-,24+,31+/m0/s1
InChIKeyGHOSBDATJBJZOG-BKZGZDJESA-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-9971 (CHEBI:98592) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-9971LINCS