CHEBI:119445 - LSM-30894

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ChEBI Name LSM-30894
ChEBI ID CHEBI:119445
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H36N2O5
Net Charge 0
Average Mass 516.629
Monoisotopic Mass 516.26242
InChI InChI=1S/C31H36N2O5/c1-21-16-33(22(2)19-34)30(35)28-11-7-6-10-27(28)26-9-5-4-8-25(26)20-38-29(21)18-32(3)17-23-12-14-24(15-13-23)31(36)37/h4-15,21-22,29,34H,16-20H2,1-3H3,(H,36,37)/t21-,22+,29-/m0/s1
InChIKey QLSXNEUKVNJNBQ-KERYWQKISA-N
SMILES C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@H](C)CO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing LSM-30894 (CHEBI:119445) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-30894 LINCS
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