CHEBI:100804 - LSM-12178

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ChEBI Name LSM-12178
ChEBI ID CHEBI:100804
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H39N3O6S
Net Charge 0
Average Mass 605.747
Monoisotopic Mass 605.25596
InChI InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-15-8-9-16-29(28)35(32)4)27-14-7-6-11-24(27)21-42-30(22)19-34(3)43(39,40)26-13-10-12-25(17-26)41-5/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23+,30-/m0/s1
InChIKey ZFRPCBGONKGXGW-BURCIIJTSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)C5=CC=CC=C5N2C)[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-12178 (CHEBI:100804) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-12178 LINCS
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