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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:35280 -
L
-proline betaine
Main
ChEBI Ontology
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ChEBI Name
L
-proline betaine
ChEBI ID
CHEBI:35280
ChEBI ASCII Name
L-proline betaine
Definition
An amino acid betaine that is
L
-proline zwitterion in which both of the hydrogens attached to the nitrogen are replaced by methyl groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:26272, CHEBI:26748, CHEBI:28218, CHEBI:9247
Supplier Information
Download
Molfile
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Molfile
Formula
C7H13NO2
Net Charge
0
Average Mass
143.18360
Monoisotopic Mass
143.09463
InChI
InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
CMUNUTVVOOHQPW-LURJTMIESA-N
SMILES
C[N+]1(C)CCC[C@H]1C([O-])=O
Metabolite of Species
Details
Leonurus japonicus
(NCBI:txid4138)
Found in aerial part
(BTO:0001658)
. 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
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
food component
A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
L
-proline betaine (
CHEBI:35280
)
has functional parent
L
-prolinium (
CHEBI:32864
)
L
-proline betaine (
CHEBI:35280
)
has role
food component (
CHEBI:78295
)
L
-proline betaine (
CHEBI:35280
)
has role
human blood serum metabolite (
CHEBI:85234
)
L
-proline betaine (
CHEBI:35280
)
has role
plant metabolite (
CHEBI:76924
)
L
-proline betaine (
CHEBI:35280
)
is a
N
-methyl-
L
-α-amino acid (
CHEBI:21752
)
L
-proline betaine (
CHEBI:35280
)
is a
alkaloid (
CHEBI:22315
)
L
-proline betaine (
CHEBI:35280
)
is a
amino-acid betaine (
CHEBI:22860
)
L
-proline betaine (
CHEBI:35280
)
is conjugate base of
N
,
N
-dimethyl-
L
-prolinium (
CHEBI:44813
)
L
-proline betaine (
CHEBI:35280
)
is enantiomer of
D
-proline betaine (
CHEBI:134398
)
Incoming
N
,
N
-dimethyl-
L
-prolinium (
CHEBI:44813
)
is conjugate acid of
L
-proline betaine (
CHEBI:35280
)
D
-proline betaine (
CHEBI:134398
)
is enantiomer of
L
-proline betaine (
CHEBI:35280
)
IUPAC Name
(2
S
)-1,1-dimethylpyrrolidinium-2-carboxylate
Synonyms
Sources
(
S
)-2-carboxylato-1,1-dimethylpyrrolidinium
ChemIDplus
L
-proline betaine
UniProt
N
,
N
-dimethyl-
L
-proline
ChEBI
proline betaine
ChEBI
Stachydrine
KEGG COMPOUND
Manual Xrefs
Databases
C00002074
KNApSAcK
C10172
KEGG COMPOUND
DB04284
DrugBank
HMDB0004827
HMDB
PBE
PDBeChem
View more database links
Registry Numbers
Types
Sources
3542403
Beilstein Registry Number
Beilstein
3542403
Reaxys Registry Number
Reaxys
471-87-4
CAS Registry Number
KEGG COMPOUND
471-87-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22770225
PubMed citation
Europe PMC
24704554
PubMed citation
Europe PMC
25012968
PubMed citation
Europe PMC
Last Modified
23 October 2015