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

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alpha-aminobutyric acid

	Properties	Image
MNX_ID	MNXM15850
reference	chebi:35621
formula	C₄H₉NO₂
global charge	0
mol weight	103.121
InChIKey	QWCKQJZIFLGMSD-UHFFFAOYSA-N
InChI	InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
SMILES	CCC(N)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3?
SMILES (mnx)	[CH3:1][CH2:2][CH:3]([C:4](=[O:6])[OH:7])[NH2:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	15
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35621 chebi:35621 QWCKQJZIFLGMSD-UHFFFAOYSA-N	alpha-aminobutyric acid 2-amino-n-butyric acid 2-aminobutanoic acid 2-aminobutyric acid AABA Abu alpha-amino-n-butyric acid butyrine homoalanine
seed.compound:cpd21858 seedM:cpd21858 QWCKQJZIFLGMSD-UHFFFAOYSA-N	2-Aminobutyrate
metacyc.compound:2-Aminobutyrate metacycM:2-Aminobutyrate QWCKQJZIFLGMSD-UHFFFAOYSA-N	2-aminobutanoate 2-amino-n-butyric acid 2-aminobutanoic acid 2-aminobutyrate 2-aminobutyric acid D,L-alpha-amino-N-butyrate D,L-alpha-amino-N-butyric acid DL-a-amino-N-butyric acid alpha-aminobutyric acid butyrine
sabiork.compound:21051 sabiorkM:21051 QWCKQJZIFLGMSD-UHFFFAOYSA-M	Aminobutyrate 2-Aminobutanoate
sabiork.compound:23147 sabiorkM:23147 QWCKQJZIFLGMSD-UHFFFAOYSA-N	alpha-Aminobutyrate
hmdb:HMDB0245013 QWCKQJZIFLGMSD-UHFFFAOYSA-N	alpha-Aminobutyric acid (2S)-2-Aminobutanoic acid 2-Amino-N-butyrate 2-Amino-N-butyric acid 2-Aminobutanoic acid 2-Aminobutyrate 2-Aminobutyric acid 2-aminobutanoic acid AABA Abu Butyrine Butyrine, (+-)-isomer Butyrine, (R)-isomer Butyrine, (S)-isomer DL-Aminobutyrate Homoalanine L-2-Aminobutyric acid L-Homoalanine a-Amino-N-butyrate a-Amino-N-butyric acid alpha-Amino-N-butyrate alpha-Amino-N-butyric acid alpha-Aminobutyric acid, (+-)-isomer alpha-Aminobutyric acid, (R)-isomer alpha-Aminobutyric acid, (S)-isomer alpha-amino-N-butyrate alpha-amino-N-butyric acid
CHEBI:86508 chebi:86508 QWCKQJZIFLGMSD-UHFFFAOYSA-M	alpha-aminobutyrate 2-aminobutanoate
seedM:M_cpd21858	secondary/obsolete/fantasy identifier