EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193013 - 7-dimethylallyl neoechinulin B anion

ChEBI IDCHEBI:193013
ChEBI Name7-dimethylallyl neoechinulin 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)c1nc2c(CC=C(C)C)cccc2c1/C=c1/[n-]c(=O)c(=C)nc1=O
InChIInChI=1S/C24H27N3O2/c1-7-24(5,6)21-18(13-19-23(29)25-15(4)22(28)26-19)17-10-8-9-16(20(17)27-21)12-11-14(2)3/h7-11,13H,1,4,12H2,2-3,5-6H3,(H3,25,26,27,28,29)/p-1
InChIKeyXVAVNXUVEBPKNU-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 neoechinulin B anion (CHEBI:193013) is a 2,5-diketopiperazines (CHEBI:65061)
UniProt Name  Source
7-dimethylallyl neoechinulin BUniProt
Citations