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CHEBI:189185 - Cyclo[N-(Lys-Phe)-Orn-Val]

ChEBI IDCHEBI:189185
ChEBI NameCyclo[N-(Lys-Phe)-Orn-Val]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40N6O4
Net Charge0
Average Mass488.633
Monoisotopic Mass488.31110
SMILESCC(C)[C@@H]1NC(=O)[C@@H](CCCN)N(C(=O)C(Cc2ccccc2)NC(=O)C(N)CCCCN)C1=O
InChIInChI=1S/C25H40N6O4/c1-16(2)21-25(35)31(20(12-8-14-27)23(33)30-21)24(34)19(15-17-9-4-3-5-10-17)29-22(32)18(28)11-6-7-13-26/h3-5,9-10,16,18-21H,6-8,11-15,26-28H2,1-2H3,(H,29,32)(H,30,33)/t18?,19?,20-,21+/m1/s1
InChIKeyNKNBNGMFQVMRAX-VFUGHAIPSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
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[N-(Lys-Phe)-Orn-Val] (CHEBI:189185) is a peptide (CHEBI:16670)
IUPAC Name 
2,6-diamino-N-[1-[(2R,5S)-2-(3-aminopropyl)-3,6-dioxo-5-propan-2-ylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]hexanamide
Manual XrefsDatabases
78442785ChemSpider