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ChEBI
> Main
CHEBI:29563 - cyclo(ΔAla-
L
-Val)
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ChEBI Ontology
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ChEBI Name
cyclo(ΔAla-
L
-Val)
ChEBI ID
CHEBI:29563
ChEBI ASCII Name
cyclo(DeltaAla-L-Val)
Definition
A 2,5-diketopiperazine where the substituents are methylidene and (
S
)-isopropyl at positions 3 and 6 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H12N2O2
Net Charge
0
Average Mass
168.19310
Monoisotopic Mass
168.08988
InChI
InChI=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
InChIKey
NFYRGJUKSGFWQF-LURJTMIESA-N
SMILES
CC(C)[C@@H]1NC(=O)C(=C)NC1=O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
(6
S
)-3-methylidene-6-(propan-2-yl)piperazine-2,5-dione
Synonym
Source
Cyclo(deltaAla-L-Val)
KEGG COMPOUND
Manual Xref
Database
C11846
KEGG COMPOUND
View more database links
Last Modified
19 September 2013