CHEBI:119400 - LSM-30849

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ChEBI Name LSM-30849
ChEBI ID CHEBI:119400
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C32H44N4O4
Net Charge 0
Average Mass 548.717
Monoisotopic Mass 548.33626
InChI InChI=1S/C32H44N4O4/c1-20(2)23(5)33-32(39)34(6)17-28-21(3)16-36(22(4)18-37)31(38)30-29(25-13-9-8-12-24(25)19-40-28)26-14-10-11-15-27(26)35(30)7/h8-15,20-23,28,37H,16-19H2,1-7H3,(H,33,39)/t21-,22-,23+,28+/m0/s1
InChIKey BIOSPGAGQAHCPR-HIAVRWOZSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@H](C)C(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-30849 (CHEBI:119400) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-30849 LINCS
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