CHEBI:119355 - LSM-30804

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-30804
ChEBI ID CHEBI:119355
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H36N2O5
Net Charge 0
Average Mass 516.629
Monoisotopic Mass 516.26242
InChI InChI=1S/C31H36N2O5/c1-21-16-33(22(2)19-34)30(35)28-11-7-6-10-27(28)26-9-5-4-8-25(26)20-38-29(21)18-32(3)17-23-12-14-24(15-13-23)31(36)37/h4-15,21-22,29,34H,16-20H2,1-3H3,(H,36,37)/t21-,22-,29+/m0/s1
InChIKey QLSXNEUKVNJNBQ-IHMCZWCLSA-N
SMILES C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[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-30804 (CHEBI:119355) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-30804 LINCS
View more database links