EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226928 - Cyclo-(Leu-Pro-Ile-Pro)

ChEBI IDCHEBI:226928
ChEBI NameCyclo-(Leu-Pro-Ile-Pro)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36N4O4
Net Charge0
Average Mass420.554
Monoisotopic Mass420.27366
SMILESCCC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C22H36N4O4/c1-5-14(4)18-22(30)26-11-7-8-16(26)19(27)23-15(12-13(2)3)21(29)25-10-6-9-17(25)20(28)24-18/h13-18H,5-12H2,1-4H3,(H,23,27)(H,24,28)/t14?,15-,16-,17-,18-/m0/s1
InChIKeyRZIIIIQWCVBQRA-HZQHLLASSA-N
Species of MetaboliteComponentSourceComments
Bacillus amyloliquefaciens (ncbitaxon:1390) - PubMed (24690914)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyclo-(Leu-Pro-Ile-Pro) (CHEBI:226928) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6S,12S,15S)-3-butan-2-yl-12-(2-methylpropyl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone
Manual XrefsDatabases
25937016ChemSpider