CHEBI:101645 - LSM-13008

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ChEBI Name LSM-13008
ChEBI ID CHEBI:101645
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H35N3O3
Net Charge 0
Average Mass 449.586
Monoisotopic Mass 449.26784
InChI InChI=1S/C27H35N3O3/c1-18-14-30(19(2)16-31)27(32)26-25(22-12-8-9-13-23(22)29(26)5)21-11-7-6-10-20(21)17-33-24(18)15-28(3)4/h6-13,18-19,24,31H,14-17H2,1-5H3/t18-,19-,24+/m0/s1
InChIKey WKBGSUAXJVLQSN-AXHZCLLHSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C)C4=CC=CC=C4N2C)[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-13008 (CHEBI:101645) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-13008 LINCS
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