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L-proline betaine

Properties

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Occurences in reactions

MNX_ID

MNXM18941

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	2

formula

C₇H₁₃NO₂

charge

mass

143.09463

reference

InChIKey

CMUNUTVVOOHQPW-LURJTMIESA-N

InChI

InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35280 chebi:35280	L-proline betaine (2S)-1,1-dimethylpyrrolidinium-2-carboxylate (S)-2-carboxylato-1,1-dimethylpyrrolidinium N,N-dimethyl-L-proline Stachydrine proline betaine
metacyc.compound:CPD-821 metacycM:CPD-821	L-proline betaine (2S)-1,1-dimethylpyrrolidinium-2-carboxylate (S)-2-carboxylato-1,1-dimethylpyrrolidinium N,N-dimethyl L-proline N,N-dimethylproline proline betaine stachydrine
CHEBI:44813 chebi:44813	N,N-dimethyl-L-prolinium (2S)-2-carboxy-1,1-dimethylpyrrolidinium 1,1-DIMETHYL-PROLINIUM
bigg.metabolite:prolb biggM:prolb	Proline betaine
hmdb:HMDB0004827	Proline betaine (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate (2S)-2-Carboxy-1,1-dimethylpyrrolidinium (S)-2-Carboxy-1,1-dimethylpyrrolidinium (S)-2-Carboxylato-1,1-dimethylpyrrolidinium Dimethylproline Homostachydrine L-Proline betaine N,N-Dimethyl-L-proline Prestwick-08g03 Stachydrine Stachydrine chloride Stachydrine chloride, (S)-isomer Stachydrine, (+-)-isomer stachydrine
seed.compound:cpd07061 seedM:cpd07061	Stachydrine (2S)-1,1-dimethylpyrrolidinium-2-carboxylate (S)-2-carboxylato-1,1-dimethylpyrrolidinium L-proline betaine N,N-dimethyl L-proline N,N-dimethyl proline N,N-dimethylproline Proline betaine prolb proline betaine stachydrine
kegg.compound:C10172 keggC:C10172	Stachydrine L-Proline betaine Proline betaine
hmdb:HMDB04827 chebi:21451 chebi:26272 chebi:26748 chebi:44810 chebi:9247 biggM:M_prolb keggC:M_C10172 seedM:M_cpd07061	secondary/obsolete/fantasy identifier