CHEBI:119258 - LSM-30707

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-30707
ChEBI ID CHEBI:119258
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H35N3O5
Net Charge 0
Average Mass 493.596
Monoisotopic Mass 493.25767
InChI InChI=1S/C28H35N3O5/c1-18-14-31(19(2)16-32)27(33)26-25(22-12-8-9-13-23(22)30(26)4)21-11-7-6-10-20(21)17-36-24(18)15-29(3)28(34)35-5/h6-13,18-19,24,32H,14-17H2,1-5H3/t18-,19+,24+/m1/s1
InChIKey LYNAFNWAMBCYIK-IMWIBFENSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OC)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing LSM-30707 (CHEBI:119258) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-30707 LINCS
View more database links