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CHEBI:193026 - isoechinulin B anion

ChEBI IDCHEBI:193026
ChEBI Nameisoechinulin B anion
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC24H26N3O2
Net Charge-1
Average Mass388.491
Monoisotopic Mass388.20305
SMILESC=CC(C)(C)c1nc2ccc(CC=C(C)C)cc2c1/C=c1/[n-]c(=O)c(=C)nc1=O
InChIInChI=1S/C24H27N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-12-16(9-8-14(2)3)10-11-19(17)26-21/h7-8,10-13H,1,4,9H2,2-3,5-6H3,(H3,25,26,27,28,29)/p-1
InChIKeyGTMHFJGKEYNNHJ-UHFFFAOYSA-M
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
isoechinulin B anion (CHEBI:193026) is a 2,5-diketopiperazines (CHEBI:65061)
isoechinulin B anion (CHEBI:193026) is conjugate base of isoechinulin B (CHEBI:193012)
Incoming Relation(s)
isoechinulin B (CHEBI:193012) is conjugate acid of isoechinulin B anion (CHEBI:193026)
UniProt Name  Source
isoechinulin BUniProt
Citations