CHEBI:103108 - LSM-14453

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ChEBI Name LSM-14453
ChEBI ID CHEBI:103108
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H38N4O6
Net Charge 0
Average Mass 598.690
Monoisotopic Mass 598.27913
InChI InChI=1S/C34H38N4O6/c1-21-16-38(22(2)18-39)33(40)32-31(26-11-7-8-12-27(26)37(32)4)25-10-6-5-9-23(25)19-42-30(21)17-36(3)34(41)35-24-13-14-28-29(15-24)44-20-43-28/h5-15,21-22,30,39H,16-20H2,1-4H3,(H,35,41)/t21-,22-,30+/m1/s1
InChIKey KFLLAZWDLYDTFJ-WOGZVKCMSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6N2C)[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-14453 (CHEBI:103108) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-14453 LINCS
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