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CHEBI:193014 - 7-dimethylallyl isoechinulin B anion

ChEBI IDCHEBI:193014
ChEBI Name7-dimethylallyl isoechinulin B anion
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC29H34N3O2
Net Charge-1
Average Mass456.610
Monoisotopic Mass456.26565
SMILESC=CC(C)(C)c1nc2c(CC=C(C)C)cc(CC=C(C)C)cc2c1/C=c1/[n-]c(=O)c(=C)nc1=O
InChIInChI=1S/C29H35N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h9-11,14-16H,1,6,12-13H2,2-5,7-8H3,(H3,30,31,32,33,34)/p-1
InChIKeyHLCAADDMBZLKRV-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)
7-dimethylallyl isoechinulin B anion (CHEBI:193014) is a 2,5-diketopiperazines (CHEBI:65061)
UniProt Name  Source
7-dimethylallyl isoechinulin BUniProt
Citations