EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:119413 - LSM-30862

ChEBI IDCHEBI:119413
ChEBI NameLSM-30862
Stars
DownloadsMolfile
FormulaC32H44N4O4
Net Charge0
Average Mass548.728
Monoisotopic Mass548.33626
SMILESCC(C)[C@H](C)NC(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C32H44N4O4/c1-20(2)23(5)33-32(39)34(6)17-28-21(3)16-36(22(4)18-37)31(38)30-29(25-13-9-8-12-24(25)19-40-28)26-14-10-11-15-27(26)35(30)7/h8-15,20-23,28,37H,16-19H2,1-7H3,(H,33,39)/t21-,22+,23+,28+/m1/s1
InChIKeyBIOSPGAGQAHCPR-FZVPRWPTSA-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-30862 (CHEBI:119413) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-30862LINCS