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:76050 -
L
-alanine-2,3,3,3-d
4
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
L
-alanine-2,3,3,3-d
4
ChEBI ID
CHEBI:76050
ChEBI ASCII Name
L-alanine-2,3,3,3-d4
Definition
A deuterated compound that is
L
-alanine in which the α-hydrogen and the three methyl hydrogens are replaced by deuterium.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
SBeisken
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
C3H3D4NO2
Net Charge
0
Average Mass
93.118
Monoisotopic Mass
93.07279
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1D3,2D
InChIKey
QNAYBMKLOCPYGJ-IALWIIEESA-N
SMILES
[2H]C([2H])([2H])[C@]([2H])(N)C(O)=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
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
fundamental metabolite
Any metabolite produced by all living cells.
(via
alanine
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
L
-alanine-2,3,3,3-d
4
(
CHEBI:76050
)
is a
L
-α-amino acid (
CHEBI:15705
)
L
-alanine-2,3,3,3-d
4
(
CHEBI:76050
)
is a
alanine (
CHEBI:16449
)
L
-alanine-2,3,3,3-d
4
(
CHEBI:76050
)
is a
deuterated compound (
CHEBI:76107
)
IUPAC Name
L
-(2,3,3,3-
2
H
4
)alanine
Synonyms
Sources
2,3,3,3-tetradeuterio
L
-alanine
ChEBI
L
-alanine-d
4
ChEBI
Registry Number
Type
Source
11056411
Reaxys Registry Number
Reaxys
Last Modified
28 October 2013