EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:119257 - LSM-30706

ChEBI IDCHEBI:119257
ChEBI NameLSM-30706
Stars
DownloadsMolfile
FormulaC30H39N3O5
Net Charge0
Average Mass521.658
Monoisotopic Mass521.28897
SMILESCC(C)OC(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C30H39N3O5/c1-19(2)38-30(36)31(5)16-26-20(3)15-33(21(4)17-34)29(35)28-27(23-12-8-7-11-22(23)18-37-26)24-13-9-10-14-25(24)32(28)6/h7-14,19-21,26,34H,15-18H2,1-6H3/t20-,21-,26-/m1/s1
InChIKeyVNUWVQZUCWANNH-IPVFLDMMSA-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-30706 (CHEBI:119257) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-30706LINCS