Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:6631 - maculosin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
maculosin
ChEBI ID
CHEBI:6631
Definition
A homodetic cyclic peptide that is a dipeptide composed of
L
-proline and
L
-tyrosine joined by peptide linkages.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:46156
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C14H16N2O3
Net Charge
0
Average Mass
260.28840
Monoisotopic Mass
260.11609
InChI
InChI=1S/C14H16N2O3/c17-
10-
5-
3-
9(4-
6-
10)
8-
11-
14(19)
16-
7-
1-
2-
12(16)
13(18)
15-
11/h3-
6,11-
12,17H,1-
2,7-
8H2,(H,15,18)
/t11-
,12-
/m0/s1
InChIKey
LSGOTAXPWMCUCK-RYUDHWBXSA-N
SMILES
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC2=O
Metabolite of Species
Details
Cordyceps sinensis
(NCBI:txid72228)
Found in mycelium
(BTO:0001436)
. Ethanolic extract of dried mycelia See:
PubMed
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
maculosin (
CHEBI:6631
)
has functional parent
L
-proline (
CHEBI:17203
)
maculosin (
CHEBI:6631
)
has functional parent
L
-tyrosine (
CHEBI:17895
)
maculosin (
CHEBI:6631
)
has role
metabolite (
CHEBI:25212
)
maculosin (
CHEBI:6631
)
is a
dipeptide (
CHEBI:46761
)
maculosin (
CHEBI:6631
)
is a
homodetic cyclic peptide (
CHEBI:24613
)
maculosin (
CHEBI:6631
)
is a
phenols (
CHEBI:33853
)
maculosin (
CHEBI:6631
)
is a
pyrrolopyrazine (
CHEBI:48337
)
IUPAC Name
(3
S
,8a
S
)-3-(4-hydroxybenzyl)hexahydropyrrolo[1,2-
a
]pyrazine-1,4-dione
Synonyms
Sources
Cyclo(L-Pro-L-Tyr)
KEGG COMPOUND
CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR
PDBeChem
Manual Xrefs
Databases
C00002350
KNApSAcK
C00030074
KNApSAcK
C10605
KEGG COMPOUND
TYP
PDBeChem
View more database links
Registry Numbers
Types
Sources
4549-02-4
CAS Registry Number
ChemIDplus
5583746
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16593989
PubMed citation
Europe PMC
IND20593317
Agricola citation
Europe PMC
IND91012774
Agricola citation
Europe PMC
Last Modified
28 July 2014