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

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(R)-3-Ureidoisobutyrate

	Properties	Image
MNX_ID	MNXM1363399
reference	chebi:182625
formula	C₅H₁₀N₂O₃
global charge	0
mol weight	146.146
InChIKey	PHENTZNALBMCQD-GSVOUGTGSA-N
InChI	InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m1/s1
SMILES	C[C@H](CNC(N)=O)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m1/s1
SMILES (mnx)	[CH3:1][C@H:3]([CH2:2][NH:7][C:5](=[NH:6])[OH:10])[C:4](=[O:8])[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:182625 chebi:182625 PHENTZNALBMCQD-GSVOUGTGSA-N	(R)-3-Ureidoisobutyrate (2R)-3-(carbamoylamino)-2-methylpropanoic acid
kegg.compound:C21029 keggC:C21029 PHENTZNALBMCQD-GSVOUGTGSA-N	(R)-3-Ureidoisobutyrate (R)-N-Carbamyl-beta-aminoisobutyrate
metacyc.compound:3-UREIDO-ISOBUTYRATE metacycM:3-UREIDO-ISOBUTYRATE PHENTZNALBMCQD-GSVOUGTGSA-M	3-(carbamoylamino)-2-methylpropanoate (R)-3-ureido-isobutanoate (R)-3-ureido-isobutyrate N-carbamyl-beta-aminoisobutyrate N-carbamyl-beta-aminoisobutyric acid
reactome:R-ALL-73617 reactomeM:R-ALL-73617 CHEBI:74414 chebi:74414 PHENTZNALBMCQD-UHFFFAOYSA-M	3-(carbamoylamino)-2-methylpropanoate 3-ureidoisobutyrate(1-)
bigg.metabolite:3uib biggM:3uib sabiork.compound:2926 sabiorkM:2926 kegg.compound:C05100 keggC:C05100 PHENTZNALBMCQD-UHFFFAOYSA-M PHENTZNALBMCQD-UHFFFAOYSA-N	3-Ureidoisobutyrate
seed.compound:cpd03034 seedM:cpd03034 PHENTZNALBMCQD-UHFFFAOYSA-M	3-Ureidoisobutyrate (R)-3-ureido-isobutanoate (R)-3-ureido-isobutyrate 3-(carbamoylamino)-2-methylpropanoate 3-ureido-isobutyrate 3uib N-carbamyl-beta-aminoisobutyrate N-carbamyl-beta-aminoisobutyric acid
hmdb:HMDB0304156 PHENTZNALBMCQD-UHFFFAOYSA-N	3-ureido-isobutyrate 3-((Aminocarbonyl)amino)-2-methylpropanoate 3-((Aminocarbonyl)amino)-2-methylpropanoic acid 3-(carbamoylamino)-2-methylpropanoic acid 3-Ureidoisobutyrate 3-Ureidoisobutyric acid 3-carbamoylamino-2-Methylpropanoate 3-carbamoylamino-2-Methylpropanoic acid DL-beta-Ureidoisobutyrate DL-beta-Ureidoisobutyric acid N-Carbamyl-amino isobutyrate N-Carbamyl-b-aminoisobutyric acid N-Carbamyl-beta-aminoisobutyric acid Ureidoisobutyrate b-UBA b-Ureidoisobutyrate b-Ureidoisobutyric acid beta-UBA beta-Ureidoisobutyrate beta-Ureidoisobutyric acid beta-uba beta-ureidoisobutyrate beta-ureidoisobutyric acid
CHEBI:1670 chebi:1670 PHENTZNALBMCQD-UHFFFAOYSA-N	3-ureidoisobutyric acid 3-((aminocarbonyl)amino)-2-methylpropanoic acid 3-Ureidoisobutyrate 3-carbamoylamino-2-methylpropanoic acid beta-UBA beta-ureidoisobutyric acid
biggM:M_3uib keggC:M_C05100 keggC:M_C21029 seedM:M_cpd03034	secondary/obsolete/fantasy identifier