trans-4-hydroxy-L-proline betaine (CHEBI:85533)

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ChEBI Name	trans-4-hydroxy-L-proline betaine

ChEBI ID	CHEBI:85533

ChEBI ASCII Name	trans-4-hydroxy-L-proline betaine

Definition	An amino-acid betaine that is trans-4-hydroxy-L-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Gemma Holliday

Secondary ChEBI IDs	CHEBI:81

Supplier Information

Download	Molfile XML SDF

Formula

C7H13NO3

Net Charge

Average Mass

159.18300

Monoisotopic Mass

159.08954

InChI

InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1

InChIKey

MUNWAHDYFVYIKH-RITPCOANSA-N

SMILES

C[N+]1(C)C[C@H](O)C[C@H]1C([O-])=O

Roles Classification
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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	trans-4-hydroxy-L-proline betaine (CHEBI:85533) has functional parent trans-4-hydroxy-L-proline zwitterion (CHEBI:58375) trans-4-hydroxy-L-proline betaine (CHEBI:85533) has role plant metabolite (CHEBI:76924) trans-4-hydroxy-L-proline betaine (CHEBI:85533) is a amino-acid betaine (CHEBI:22860) trans-4-hydroxy-L-proline betaine (CHEBI:85533) is a pyrrolidine alkaloid (CHEBI:26456) trans-4-hydroxy-L-proline betaine (CHEBI:85533) is a secondary alcohol (CHEBI:35681)

IUPAC Name

(2,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate

Synonyms	Sources
(−)-betonicine	KEGG COMPOUND
(2S-trans)-2-carboxylato-4-hydroxy-1,1-dimethylpyrrolidinium	ChemIDplus
4-hydroxystachydrine	HMDB
betonicine	ChemIDplus
trans-4-hydroxy-L-proline betaine	UniProt

Last Modified

31 August 2015