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:73830 - Asp-Phe
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Asp-Phe
ChEBI ID
CHEBI:73830
Definition
A dipeptide formed from
L
-α-aspartyl and
L
-phenylalanine residues. It is obtained after the hydrolysis of aspartame in intestinal lumen.
Stars
This entity has been manually annotated by the ChEBI Team.
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
C13H16N2O5
Net Charge
0
Average Mass
280.27650
Monoisotopic Mass
280.10592
InChI
InChI=1S/C13H16N2O5/c14-
9(7-
11(16)
17)
12(18)
15-
10(13(19)
20)
6-
8-
4-
2-
1-
3-
5-
8/h1-
5,9-
10H,6-
7,14H2,(H,15,18)
(H,16,17)
(H,19,20)
/t9-
,10-
/m0/s1
InChIKey
YZQCXOFQZKCETR-UWVGGRQHSA-N
SMILES
N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in blood serum
(BTO:0000133)
. See:
MetaboLights Study
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):
human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Asp-Phe (
CHEBI:73830
)
has role
human blood serum metabolite (
CHEBI:85234
)
Asp-Phe (
CHEBI:73830
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
Asp-Phe (
CHEBI:73830
)
is a
dipeptide (
CHEBI:46761
)
IUPAC Name
L
-α-aspartyl-
L
-phenylalanine
Synonyms
Sources
α-aspartylphenylalanine
ChEBI
Aspartyl-phenylalanine
ChemIDplus
aspartylphenylalanine
ChEBI
Demethylaspartame
HMDB
DF
ChEBI
L
-α-Asp-
L
-Phe
ChEBI
L
-Asp-
L
-Phe
ChEBI
L-Aspartyl-L-phenylalanine
HMDB
Manual Xref
Database
HMDB0000706
HMDB
View more database links
Registry Numbers
Types
Sources
13433-09-5
CAS Registry Number
ChemIDplus
2817528
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22200573
PubMed citation
Europe PMC
23218487
PubMed citation
Europe PMC
Last Modified
23 October 2015