MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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L-proline betaine

	Properties	Image
MNX_ID	MNXM18941
reference	chebi:35280
formula	C₇H₁₃NO₂
global charge	0
mol weight	143.186
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-]

MNX internals

InChI (mnx)	InChI=1/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1
SMILES (mnx)	[CH3:1][N+:8]1([CH3:2])[CH2:5][CH2:3][CH2:4][C@H:6]1[C:7](=[O:9])[O-:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35280 chebi:35280 CMUNUTVVOOHQPW-LURJTMIESA-N	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 CMUNUTVVOOHQPW-LURJTMIESA-N	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 CMUNUTVVOOHQPW-LURJTMIESA-O	N,N-dimethyl-L-prolinium (2S)-2-carboxy-1,1-dimethylpyrrolidinium 1,1-DIMETHYL-PROLINIUM
bigg.metabolite:prolb biggM:prolb	Proline betaine
hmdb:HMDB0004827 CMUNUTVVOOHQPW-LURJTMIESA-N	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 CMUNUTVVOOHQPW-LURJTMIESA-N	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 CMUNUTVVOOHQPW-LURJTMIESA-N	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