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CHEBI:5166 - Frangulanine

ChEBI IDCHEBI:5166
ChEBI NameFrangulanine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC28H44N4O4
Net Charge0
Average Mass500.684
Monoisotopic Mass500.33626
SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@H]1C(C)C)N(C)C
InChIInChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-/t19-,22-,23-,24-,25-/m0/s1
InChIKeyULQXKOIGVXLOOC-RJJCKBEYSA-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)
Frangulanine (CHEBI:5166) is a cyclic peptide (CHEBI:23449)
Synonym  Source
FrangulanineKEGG COMPOUND
Manual XrefsDatabases
C10003KEGG COMPOUND
C00001998KNApSAcK
Registry NumbersSources
CAS:25350-22-5KEGG COMPOUND