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CHEBI:101088 - LSM-12459

ChEBI IDCHEBI:101088
ChEBI NameLSM-12459
Stars
DownloadsMolfile
FormulaC28H26N2O6
Net Charge0
Average Mass486.524
Monoisotopic Mass486.17909
SMILESO=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C=Cc4ccccc4)c3=O)[C@H]2N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C28H26N2O6/c31-15-21-20-14-29-22(10-9-19(27(29)32)8-6-17-4-2-1-3-5-17)25(20)30(26(21)28(33)34)13-18-7-11-23-24(12-18)36-16-35-23/h1-12,20-21,25-26,31H,13-16H2,(H,33,34)/t20-,21-,25+,26-/m1/s1
InChIKeyJUBZNFCZFZOAAP-YTFNCPKPSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
LSM-12459 (CHEBI:101088) is a D-α-amino acid (CHEBI:16733)
Manual XrefsDatabases
LSM-12459LINCS