EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:85533
ChEBI Nametrans-4-hydroxy-L-proline betaine
Stars
ASCII Nametrans-4-hydroxy-L-proline betaine
DefinitionAn 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betaine that is trans-4-hydroxy-L-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups.
Secondary ChEBI IDCHEBI:81
Last Modified31 August 2015
Submittergemma
DownloadsMolfile
FormulaC7H13NO3
Net Charge0
Average Mass159.185
Monoisotopic Mass159.08954
SMILESC[N+]1(C)C[C@H](O)C[C@H]1C(=O)[O-]
InChIInChI=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
InChIKeyMUNWAHDYFVYIKH-RITPCOANSA-N
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
(2S-trans)-2-carboxylato-4-hydroxy-1,1-dimethylpyrrolidiniumChemIDplus
betonicineChemIDplus
(−)-betonicineKEGG COMPOUND
4-hydroxystachydrineHMDB
UniProt Name  Source
trans-4-hydroxy-L-proline betaineUniProt
Manual XrefsDatabases
C08269KEGG COMPOUND
C00001345KNApSAcK
0XWPDBeChem
HMDB0029412HMDB
Registry NumbersSources
Reaxys:4136404Reaxys
CAS:515-25-3ChemIDplus
CAS:515-25-3KEGG COMPOUND
Citations