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CHEBI:79990 - GW 409544

ChEBI IDCHEBI:79990
ChEBI NameGW 409544
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FormulaC31H30N2O5
Net Charge0
Average Mass510.590
Monoisotopic Mass510.21547
SMILESC/C(=C/C(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O
InChIInChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,19,28,32H,17-18,20H2,1-2H3,(H,35,36)/b21-19-/t28-/m0/s1
InChIKeyGGUVRMBIEPYOKL-WMVCGJOFSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
GW 409544 (CHEBI:79990) is a monocarboxylic acid (CHEBI:25384)
Synonym  Source
GW 9544KEGG COMPOUND
Manual XrefsDatabases
544PDBeChem
C15623KEGG COMPOUND
Registry NumbersSources
CAS:258345-41-4KEGG COMPOUND