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CHEBI:29563 - cyclo(ΔAla-L-Val)

ChEBI IDCHEBI:29563
ChEBI Namecyclo(ΔAla-L-Val)
Stars
ASCII Namecyclo(DeltaAla-L-Val)
DefinitionA 2,5-diketopiperazine where the substituents are methylidene and (S)-isopropyl at positions 3 and 6 respectively.
Last Modified19 September 2013
DownloadsMolfile
FormulaC8H12N2O2
Net Charge0
Average Mass168.196
Monoisotopic Mass168.08988
SMILESC=C1NC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C8H12N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4,6H,3H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKeyNFYRGJUKSGFWQF-LURJTMIESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cyclo(ΔAla-L-Val) (CHEBI:29563) has role metabolite (CHEBI:25212)
cyclo(ΔAla-L-Val) (CHEBI:29563) is a 2,5-diketopiperazines (CHEBI:65061)
IUPAC Name 
(6S)-3-methylidene-6-(propan-2-yl)piperazine-2,5-dione
Synonym  Source
Cyclo(deltaAla-L-Val)KEGG COMPOUND
Manual XrefsDatabases
C11846KEGG COMPOUND