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CHEBI:220294 - Cyclo-(L-Val-L-Glu-L-Val-L-Glu)

Default Structure
ChEBI IDCHEBI:220294
ChEBI NameCyclo-(L-Val-L-Glu-L-Val-L-Glu)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32N4O8
Net Charge0
Average Mass456.496
Monoisotopic Mass456.22201
SMILESCC(C)[C@H]1NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCC(=O)O)NC1=O
InChIInChI=1S/C20H32N4O8/c1-9(2)15-19(31)21-12(6-8-14(27)28)18(30)24-16(10(3)4)20(32)22-11(17(29)23-15)5-7-13(25)26/h9-12,15-16H,5-8H2,1-4H3,(H,21,31)(H,22,32)(H,23,29)(H,24,30)(H,25,26)(H,27,28)/t11-,12-,15-,16-/m1/s1
InChIKeyFEOVECRLHWBHQB-CZPYZCIJSA-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-Val-L-Glu-L-Val-L-Glu) (CHEBI:220294) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(2R,5R,8R,11R)-8-(2-carboxyethyl)-3,6,9,12-tetraoxo-5,11-di(propan-2-yl)-1,4,7,10-tetrazacyclododec-2-yl]propanoic acid
Manual XrefsDatabases
78443610ChemSpider