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

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3-aminoisobutyric acid

	Properties	Image
MNX_ID	MNXM9987
reference	chebi:27389
formula	C₄H₉NO₂
global charge	0
mol weight	103.121
InChIKey	QCHPKSFMDHPSNR-UHFFFAOYSA-N
InChI	InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
SMILES	CC(CN)C(=O)O

MNX internals

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

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27389 chebi:27389 QCHPKSFMDHPSNR-UHFFFAOYSA-N	3-aminoisobutyric acid 2-(aminomethyl)propionic acid 2-Methyl-beta-alanine 3-Amino-2-methylpropanoate 3-Aminoisobutanoate 3-Aminoisobutanoic acid 3-amino-2-methylpropanoic acid BAIB DL-beta-aminoisobutyric acid alpha-Methyl-beta-alanine bAib beta-aminoisobutyric acid
sabiork.compound:2925 sabiorkM:2925 QCHPKSFMDHPSNR-UHFFFAOYSA-M	3-Aminoisobutanoate 3-Amino-2-methylpropanoate
seed.compound:cpd03063 seedM:cpd03063 QCHPKSFMDHPSNR-UHFFFAOYSA-N	3-Aminoisobutanoate 3-Amino-2-methylpropanoate 3-Aminoisobutyric acid
hmdb:HMDB0003911 QCHPKSFMDHPSNR-UHFFFAOYSA-N	3-Aminoisobutanoic acid (+)-beta-aminoisobutyric acid (+/-)-3-amino-2-methylpropanoate (+/-)-3-amino-2-methylpropanoic acid (+/-)-3-aminoisobutyric acid (+/-)-b-aminoisobutyric acid (+/-)-beta-aminoisobutyric acid 2-(Aminomethyl)propionate 2-(Aminomethyl)propionic acid 2-Methyl-b-alanine 2-Methyl-beta-alanine 3-Amino-2-methylpropanoate 3-Amino-2-methylpropanoic acid 3-Amino-isobutanoate 3-Amino-isobutanoic acid 3-Aminoisobutanoate 3-Aminoisobutyrate 3-Aminoisobutyric acid 3-Aminoisobutyric acid, (+-)-isomer 3-Aminoisobutyric acid, (R)-isomer 3-Aminoisobutyric acid, (S)-isomer 3-Aminoisobutyric acid, tritium-labeled 3-amino-2-methylpropanoic acid BAIB DL-2-Methyl-b-alanine DL-2-Methyl-beta-alanine DL-3-Amino-2-methylpropionic acid DL-3-Aminoisobutyric acid DL-3-Aminoisobutyric acid monohydrate DL-b-Aminoisobutyrate DL-b-Aminoisobutyric acid DL-beta-Aminoisobutyrate DL-beta-Aminoisobutyric acid DL-beta-aminoisobutyrate DL-beta-aminoisobutyric acid a-Methyl-b-alanine alpha-Methyl-beta-alanine alpha-methyl-beta-alanine b-Aminoisobutyrate b-Aminoisobutyric acid beta-Aminoisobutyrate beta-Aminoisobutyric acid beta-aminoisobutyrate beta-aminoisobutyric acid
kegg.compound:C05145 keggC:C05145 QCHPKSFMDHPSNR-UHFFFAOYSA-N	3-Aminoisobutyric acid 3-Amino-2-methylpropanoate 3-Aminoisobutanoate
metacyc.compound:3-AMINO-ISOBUTYRATE metacycM:3-AMINO-ISOBUTYRATE QCHPKSFMDHPSNR-UHFFFAOYSA-N	3-amino-2-methylpropanoate 3-amino-isobutanoate 3-amino-isobutyrate 3-amino-isobutyric acid 3-aminoisobutanoic acid 3-aminoisobutyrate beta-aminoisobutyrate
lipidmaps:LMFA01100054 lipidmapsM:LMFA01100054 QCHPKSFMDHPSNR-UHFFFAOYSA-N	3-amino-isobutanoic acid 3-amino-3-methyl-propionic acid
CHEBI:142590 chebi:142590 QCHPKSFMDHPSNR-UHFFFAOYSA-N	3-aminoisobutanoate 3-aminoisobutanoic acid zwitterion 3-ammonio-2-methylpropanoate 3-azaniumyl-2-methylpropanoate
CHEBI:49096 chebi:49096 QCHPKSFMDHPSNR-UHFFFAOYSA-M	3-aminoisobutyrate 3-amino-2-methylpropanoate beta-aminoisobutyrate
hmdb:HMDB0000485 hmdb:HMDB00485 hmdb:HMDB03911 chebi:18712 chebi:19959 chebi:359 keggC:M_C05145 seedM:M_cpd03063	secondary/obsolete/fantasy identifier