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

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3-hydroxyisovaleric acid

	Properties	Image
MNX_ID	MNXM36533
reference	chebi:37084
formula	C₅H₁₀O₃
global charge	0
mol weight	118.132
InChIKey	AXFYFNCPONWUHW-UHFFFAOYSA-N
InChI	InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
SMILES	CC(C)(O)CC(=O)O

MNX internals

InChI (mnx)	InChI=1/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
SMILES (mnx)	[CH3:1][C:5]([CH3:2])([CH2:3][C:4](=[O:6])[OH:7])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:37084 chebi:37084 AXFYFNCPONWUHW-UHFFFAOYSA-N	3-hydroxyisovaleric acid 3-OH-isovaleric acid 3-hydroxy-3-methylbutanoic acid 3-hydroxy-3-methylbutyric acid 3-hydroxy-isovaleric acid 3-methyl-3-hydroxybutyric acid HMB Hmb-d6 beta-Hydroxyisovaleric acid beta-hydroxy-beta-methylbutyric acid
kegg.compound:C20827 keggC:C20827 AXFYFNCPONWUHW-UHFFFAOYSA-N	3-Hydroxyisovalerate 3-Hydroxy-3-methylbutyrate
bigg.metabolite:3hivac biggM:3hivac AXFYFNCPONWUHW-UHFFFAOYSA-M	3-Hydroxyisovaleric Acid
vmhM:3hivac vmhmetabolite:3hivac AXFYFNCPONWUHW-UHFFFAOYSA-M	3-Hydroxyisovaleric Acid 3-hydroxy-3-methylbutanoic acid
hmdb:HMDB0000754 AXFYFNCPONWUHW-UHFFFAOYSA-N	3-Hydroxyisovaleric acid 3-Hydroxy-3-methyl-butanoate 3-Hydroxy-3-methyl-butanoic acid 3-Hydroxy-3-methyl-butyric acid 3-Hydroxy-3-methylbutanoate 3-Hydroxy-3-methylbutanoic acid 3-Hydroxy-3-methylbutyrate 3-Hydroxy-3-methylbutyric acid 3-Hydroxy-isovalerate 3-Hydroxy-isovaleric acid 3-Hydroxyisovalerate 3-Methyl-3-hydroxybutyrate 3-Methyl-3-hydroxybutyric acid 3-OH-Isovalerate 3-OH-Isovaleric acid 3-hydroxy-3-methylbutanoic acid 3-hydroxyisovaleric acid HMB HMB-D6 b-Hydroxy-b-methylbutyrate b-Hydroxy-b-methylbutyric acid b-Hydroxyisovalerate b-Hydroxyisovaleric acid beta Hydroxy beta methylbutyrate beta-Hydroxy beta-methylbutyrate beta-Hydroxy-beta-methylbutyrate beta-Hydroxy-beta-methylbutyric acid beta-Hydroxyisovalerate beta-Hydroxyisovaleric acid beta-hydroxy-beta-methylbutyrate beta-hydroxy-beta-methylbutyric acid beta-hydroxyisovalerate beta-hydroxyisovaleric acid
vmhM:CE2028 vmhmetabolite:CE2028 AXFYFNCPONWUHW-UHFFFAOYSA-M	3-Hydroxyisovaleric acid 3-hydroxy-3-methylbutanoic acid
metacyc.compound:CPD-14642 metacycM:CPD-14642 AXFYFNCPONWUHW-UHFFFAOYSA-M	3-hydroxy-3-methylbutanoate 3-hydroxy-3-methyl-butanoate (incorrect) 3-hydroxy-3-methyl-butanoic acid (incorrect) 3-hydroxy-3-methylbutanoic acid 3-hydroxy-3-methylbutyrate 3-hydroxyisovalerate beta-hydroxy-beta-methylbutyrate beta-hydroxyisovalerate
seed.compound:cpd31748 seedM:cpd31748 AXFYFNCPONWUHW-UHFFFAOYSA-M	3-hydroxy-3-methylbutanoate 3-hydroxy-3-methylbutyrate 3-hydroxyisovalerate beta-hydroxy-beta-methylbutyrate beta-hydroxyisovalerate
lipidmaps:LMFA01050396 lipidmapsM:LMFA01050396 AXFYFNCPONWUHW-UHFFFAOYSA-N	3-hydroxy-isovaleric acid 3-hydroxy-3-methyl-butanoic acid FA 5:0 O
CHEBI:82957 chebi:82957 AXFYFNCPONWUHW-UHFFFAOYSA-M	3-hydroxyisovalerate 3-hydroxy-3-methylbutanoate 3-hydroxy-3-methylbutyrate beta-hydroxyisovalerate
bigg.metabolite:CE2028 biggM:CE2028 AXFYFNCPONWUHW-UHFFFAOYSA-M	Beta-hydroxy-beta-methylbutyrate
envipath:...b4743365550c envipathM:...b4743365550c AXFYFNCPONWUHW-UHFFFAOYSA-M	compound 0000633
envipath:...d028d04747cf envipathM:...d028d04747cf AXFYFNCPONWUHW-UHFFFAOYSA-M	compound 0054854
hmdb:HMDB00754 biggM:M_3hivac biggM:M_CE2028 keggC:M_C20827 seedM:M_cpd31748 vmhM:M_3hivac vmhM:M_CE2028	secondary/obsolete/fantasy identifier