EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:7658 - Nummularine F

ChEBI IDCHEBI:7658
ChEBI NameNummularine F
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H32N4O4
Net Charge0
Average Mass428.533
Monoisotopic Mass428.24236
SMILES[H][C@@]12C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N/C=C\c3ccc(cc3)O[C@@]1([H])CCN2C(=O)CN(C)C
InChIInChI=1S/C23H32N4O4/c1-5-15(2)20-22(29)24-12-10-16-6-8-17(9-7-16)31-18-11-13-27(19(28)14-26(3)4)21(18)23(30)25-20/h6-10,12,15,18,20-21H,5,11,13-14H2,1-4H3,(H,24,29)(H,25,30)/b12-10-/t15-,18-,20-,21-/m0/s1
InChIKeyJPEVGZLXTREPOA-WRFCVBCGSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nummularine F (CHEBI:7658) is a cyclic peptide (CHEBI:23449)
Synonym  Source
Nummularine FKEGG COMPOUND
Manual XrefsDatabases
C10011KEGG COMPOUND
C00002006KNApSAcK
Registry NumbersSources
CAS:58775-98-7KEGG COMPOUND