EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220286 - Cyclo-(L-Ile-L-Glu-L-Ile-L-Glu)

ChEBI IDCHEBI:220286
ChEBI NameCyclo-(L-Ile-L-Glu-L-Ile-L-Glu)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36N4O8
Net Charge0
Average Mass484.550
Monoisotopic Mass484.25331
SMILESCC[C@@H](C)[C@H]1NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC1=O
InChIInChI=1S/C22H36N4O8/c1-5-11(3)17-21(33)23-14(8-10-16(29)30)20(32)26-18(12(4)6-2)22(34)24-13(19(31)25-17)7-9-15(27)28/h11-14,17-18H,5-10H2,1-4H3,(H,23,33)(H,24,34)(H,25,31)(H,26,32)(H,27,28)(H,29,30)/t11-,12-,13-,14-,17-,18-/m1/s1
InChIKeyTWVRBECIVXAEKL-ZZVLORQYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 447 (ncbitaxon:1827579) - PubMed (27936924)
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-(L-Ile-L-Glu-L-Ile-L-Glu) (CHEBI:220286) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(2R,5R,8R,11R)-5,11-bis[(2R)-butan-2-yl]-8-(2-carboxyethyl)-3,6,9,12-tetraoxo-1,4,7,10-tetrazacyclododec-2-yl]propanoic acid
Manual XrefsDatabases
78443609ChemSpider