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beta-alanine betaine

PropertiesImage
MNX_IDMNXM16267 Image of MNXM16267
referencechebi:28825
formulaC6H13NO2
global charge0
mol weight131.175
InChIKeyACZVSMNFVFBOTM-UHFFFAOYSA-N
InChIInChI=1S/C6H13NO2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3
SMILESC[N+](C)(C)CCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H13NO2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3 Image of MNXM16267
SMILES (mnx)[CH3:1][N+:7]([CH3:2])([CH3:3])[CH2:5][CH2:4][C:6](=[O:8])[O-:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28825
chebi:28825
ACZVSMNFVFBOTM-UHFFFAOYSA-N 		beta-alanine betaine
3-(trimethylammonio)propanoate
beta-Alanine betaine
beta-Alaninebetaine
beta-homobetaine

seed.compound:cpd05179
seedM:cpd05179
ACZVSMNFVFBOTM-UHFFFAOYSA-N 		Trimethylalanine
N,N,N-trimethyl-beta-alanine
Propiobetaine
beta-Alanine betaine
beta-Alaninebetaine
beta-alanine betaine

kegg.compound:C08263
keggC:C08263
ACZVSMNFVFBOTM-UHFFFAOYSA-N 		beta-Alaninebetaine
Propiobetaine
Trimethylalanine
beta-Alanine betaine
hmdb:HMDB0304538
ACZVSMNFVFBOTM-UHFFFAOYSA-N 		beta-alanine betaine

metacyc.compound:CPD-6181
metacycM:CPD-6181
ACZVSMNFVFBOTM-UHFFFAOYSA-N 		beta-alanine betaine
N,N,N-trimethyl-beta-alanine

chebi:10344
chebi:22822
keggC:M_C08263
seedM:M_cpd05179 		secondary/obsolete/fantasy identifier