CHEBI:94350 - LSM-5008

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ChEBI Name LSM-5008
ChEBI ID CHEBI:94350
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H30NO4
Net Charge +1
Average Mass 360.468
Monoisotopic Mass 360.21693
InChI InChI=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
InChIKey YBCNXCRZPWQOBR-RNAXYUFPSA-N
SMILES CCCC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing LSM-5008 (CHEBI:94350) is a 3-hydroxy carboxylic acid (CHEBI:61355)
Manual Xref Database
LSM-5008 LINCS
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