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CHEBI:94350 - LSM-5008

ChEBI IDCHEBI:94350
ChEBI NameLSM-5008
Stars
DownloadsMolfile
FormulaC21H30NO4
Net Charge+1
Average Mass360.474
Monoisotopic Mass360.21693
SMILESCCCC[N+]1(C)[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@H]12
InChIInChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15?,16-,17-,18+,19+,20+,22?/m1/s1
InChIKeyYBCNXCRZPWQOBR-RNAXYUFPSA-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-5008 (CHEBI:94350) is a 3-hydroxy carboxylic acid (CHEBI:61355)
Manual XrefsDatabases
LSM-5008LINCS