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N-acetyl-beta-alanine

PropertiesImage
MNX_IDMNXM4701 Image of MNXM4701
referencechebi:57857
formulaC5H8NO3
global charge-1
mol weight130.123
InChIKeyLJLLAWRMBZNPMO-UHFFFAOYSA-M
InChIInChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)/p-1
SMILESCC(=O)NCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9) Image of MNXM4701
SMILES (mnx)[CH3:1][C:4](=[N:6][CH2:3][CH2:2][C:5](=[O:8])[OH:9])[OH:7]
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:57857
chebi:57857
LJLLAWRMBZNPMO-UHFFFAOYSA-M
N-acetyl-beta-alanine
3-acetamidopropanoate
N-acetyl-beta-alaninate
N-acetyl-beta-alaninate anion
N-acetyl-beta-alaninate(1-)

kegg.compound:C01073
keggC:C01073
LJLLAWRMBZNPMO-UHFFFAOYSA-N
N-Acetyl-beta-alanine
hmdb:HMDB0061880
LJLLAWRMBZNPMO-UHFFFAOYSA-N
N-Acetyl-beta-alanine
3-(Acetylamino)propanoate
3-(Acetylamino)propanoic acid
3-(Acetylamino)propionic acid
3-Acetamidopropanoic acid
3-Acetamidopropionic acid
3-acetamidopropanoic acid
Acetyl-beta-alanine
N-Acetyl-3-aminopropanoic acid
N-Acetyl-3-aminopropionic acid
N-Acetyl-b-alanine
N-acetyl-beta-alanine

vmhM:naclbala
vmhmetabolite:naclbala
LJLLAWRMBZNPMO-UHFFFAOYSA-N
N-Acetyl-beta-alanine
3-acetamidopropanoic acid

seed.compound:cpd00788
seedM:cpd00788
LJLLAWRMBZNPMO-UHFFFAOYSA-M
N-Acetyl-beta-alanine
N-acetyl-beta-alanine

metacyc.compound:CPD-580
metacycM:CPD-580
LJLLAWRMBZNPMO-UHFFFAOYSA-M
N-acetyl-beta-alanine

CHEBI:16682
chebi:16682
LJLLAWRMBZNPMO-UHFFFAOYSA-N
N-acetyl-beta-alanine
3-(acetylamino)propanoic acid
3-acetamidopropanoic acid
N-Acetyl-beta-alanine

hmdb:HMDB61880
chebi:12449
chebi:21599
chebi:7186
keggC:M_C01073
seedM:M_cpd00788
vmhM:M_naclbala
secondary/obsolete/fantasy identifier