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

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beta-alanine

	Properties	Image
MNX_ID	MNXM144
reference	chebi:57966
formula	C₃H₇NO₂
global charge	0
mol weight	89.094
InChIKey	UCMIRNVEIXFBKS-UHFFFAOYSA-N
InChI	InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
SMILES	[NH3+]CCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
SMILES (mnx)	[CH2:1]([CH2:2][NH2:4])[C:3](=[O:5])[OH:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	66
in models (compartimentalized)	47

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-73590 reactomeM:R-ALL-73590 reactome:R-ALL-909777 reactomeM:R-ALL-909777 CHEBI:57966 chebi:57966 UCMIRNVEIXFBKS-UHFFFAOYSA-N	beta-alanine 3-ammoniopropanoate 3-azaniumylpropanoate beta-alanine zwitterion
bigg.metabolite:ala_B biggM:ala_B UCMIRNVEIXFBKS-UHFFFAOYSA-N	Beta-Alanine
hmdb:HMDB0000056 UCMIRNVEIXFBKS-UHFFFAOYSA-N	beta-Alanine 2-Carboxyethylamine 3 Aminopropionic acid 3-Amino-propanoate 3-Amino-propanoic acid 3-Aminopropanoate 3-Aminopropanoic acid 3-Aminopropionate 3-Aminopropionic acid 3-aminopropanoic acid Abufene BAla H-b-Ala-OH H-beta-Ala-OH H-beta-ala-OH Omega-aminopropionate Omega-aminopropionic acid b-Alanine b-Aminopropanoate b-Aminopropanoic acid b-Aminopropionate b-Aminopropionic acid beta Alanine beta alanine beta-Aminopropanoate beta-Aminopropanoic acid beta-Aminopropionate beta-Aminopropionic acid beta-alanine beta-aminopropionate beta-aminopropionic acid omega-Aminopropanoic acid omega-Aminopropionic acid
kegg.compound:C00099 keggC:C00099 UCMIRNVEIXFBKS-UHFFFAOYSA-N	beta-Alanine 3-Aminopropanoate 3-Aminopropionic acid
seed.compound:cpd00085 seedM:cpd00085 UCMIRNVEIXFBKS-UHFFFAOYSA-N	beta-Alanine 3-Aminopropanoate 3-Aminopropionic acid 3-aminopropanoate 3-ammoniopropanoate 3-azaniumylpropanoate ala-B beta-alanine
sabiork.compound:1932 sabiorkM:1932 UCMIRNVEIXFBKS-UHFFFAOYSA-N	beta-Alanine 3-Aminopropanoate 3-Aminopropionic acid 3-aminopropionic acid
kegg.drug:D07561 keggD:D07561 UCMIRNVEIXFBKS-UHFFFAOYSA-N	beta-Alanine Abufene (TN)
CHEBI:63070 chebi:63070 UCMIRNVEIXFBKS-UHFFFAOYSA-M	beta-alaninate 3-aminopropanoate beta-alaninate anion beta-alaninate(1-)
reactome:R-ALL-352021 reactomeM:R-ALL-352021 CHEBI:16958 chebi:16958 UCMIRNVEIXFBKS-UHFFFAOYSA-N	beta-alanine 3-Aminopropionic acid 3-aminopropanoic acid BETA-ALANINE H-beta-Ala-OH bAla beta-Alanine beta-aminopropionic acid omega-aminopropionic acid
metacyc.compound:B-ALANINE metacycM:B-ALANINE UCMIRNVEIXFBKS-UHFFFAOYSA-N	beta-alanine 3-aminopropanoate 3-aminopropanoic acid 3-azaniumylpropanoate
vmhM:ala_B vmhmetabolite:ala_B UCMIRNVEIXFBKS-UHFFFAOYSA-N	beta-alanine 3-aminopropanoic acid
envipath:...87b5b436f4df envipathM:...87b5b436f4df UCMIRNVEIXFBKS-UHFFFAOYSA-M	compound 0038219
hmdb:HMDB00056 chebi:10343 chebi:12389 chebi:22821 chebi:41050 biggM:M_ala_B keggC:M_C00099 keggD:M_D07561 seedM:M_cpd00085 vmhM:M_ala_B	secondary/obsolete/fantasy identifier