CHEBI:101103 - LSM-12472

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ChEBI Name LSM-12472
ChEBI ID CHEBI:101103
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H35N3O3
Net Charge 0
Average Mass 473.608
Monoisotopic Mass 473.26784
InChI InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-24(25)20-35-28(21)18-31(3)17-23-12-14-30-15-13-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22+,28+/m1/s1
InChIKey KEOFNYFHDQHRAV-WENCSYSZSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=NC=C4)[C@@H](C)CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing LSM-12472 (CHEBI:101103) is a aralkylamine (CHEBI:18000)
Manual Xref Database
LSM-12472 LINCS
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