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:87977 - (
13
C
5
,
15
N)-valine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(
13
C
5
,
15
N)-valine
ChEBI ID
CHEBI:87977
ChEBI ASCII Name
((13)C5,(15)N)-valine
Definition
An
L
-α-amino acid that is
L
-valine in which all five carbons are
13
C isotopes while the nitrogen is the
15
N isotope.
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
[13C]5H11[15N]O2
Net Charge
0
Average Mass
123.103
Monoisotopic Mass
123.09279
InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
KZSNJWFQEVHDMF-XAFSXMPTSA-N
SMILES
O=[13C](O)[13C@@H]([15NH2])[13CH]([13CH3])[13CH3]
Metabolite of Species
Details
Rattus norvegicus
(NCBI:txid10116)
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
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via
valine
)
Daphnia magna metabolite
A
Daphnia
metabolite produced by the species
Daphnia magna
.
(via
valine
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
13
C
5
,
15
N)-valine (
CHEBI:87977
)
is a
13
C-modified compound (
CHEBI:139357
)
(
13
C
5
,
15
N)-valine (
CHEBI:87977
)
is a
15
N-modified compound (
CHEBI:139360
)
(
13
C
5
,
15
N)-valine (
CHEBI:87977
)
is a
L
-α-amino acid (
CHEBI:15705
)
(
13
C
5
,
15
N)-valine (
CHEBI:87977
)
is a
valine (
CHEBI:27266
)
IUPAC Name
L
-
(
13
C
5
,
15
N)valine
Registry Number
Type
Source
8056344
Reaxys Registry Number
Reaxys
Last Modified
03 January 2018