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

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3-hydroxy-3-methylglutarate

	Properties	Image
MNX_ID	MNXM731593
reference	chebi:17325
formula	C₆H₈O₅
global charge	-2
mol weight	160.125
InChIKey	NPOAOTPXWNWTSH-UHFFFAOYSA-L
InChI	InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/p-2
SMILES	CC(O)(CC(=O)[O-])CC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
SMILES (mnx)	[CH3:1][C:6]([CH2:2][C:4](=[O:7])[OH:8])([CH2:3][C:5](=[O:9])[OH:10])[OH:11]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17325 chebi:17325 NPOAOTPXWNWTSH-UHFFFAOYSA-L	3-hydroxy-3-methylglutarate 3-hydroxy-3-methylglutarate(2-) 3-hydroxy-3-methylpentanedioate
bigg.metabolite:3h3mglt biggM:3h3mglt NPOAOTPXWNWTSH-UHFFFAOYSA-L	3-Hydroxy-3-Methyl-Glutarate
vmhM:3h3mglt vmhmetabolite:3h3mglt NPOAOTPXWNWTSH-UHFFFAOYSA-L	3-Hydroxy-3-Methyl-Glutarate 3-hydroxy-3-methylpentanedioic acid
sabiork.compound:6837 sabiorkM:6837 kegg.compound:C03761 keggC:C03761 NPOAOTPXWNWTSH-UHFFFAOYSA-N	3-Hydroxy-3-methylglutarate 3-Hydorxy-3-methylglutaric acid 3-Hydroxy-3-methylpentanedioic acid Dicrotalic acid Meglutol beta-Hydroxy-beta-methylglutaric acid
vmhM:3hemthg vmhmetabolite:3hemthg NPOAOTPXWNWTSH-UHFFFAOYSA-N	3-Hydroxy-3-methylglutarate 3-hydroxy-3-methylpentanedioic acid
hmdb:HMDB0000355 NPOAOTPXWNWTSH-UHFFFAOYSA-N	3-Hydroxymethylglutaric acid (S)-3-Hydroxy-3-methylglutarate (S)-3-Hydroxy-3-methylglutaric acid (S)-Meglutol 3 Hydroxy 3 methylglutaric acid 3 Hydroxy 3 methylpentanedioic acid 3-HYDROXY-3-methyl-glutarIC ACID 3-HYDROXY-3-methyl-glutarate 3-Hydorxy-3-methylglutarate 3-Hydorxy-3-methylglutaric acid 3-Hydroxy-3-methylglutarate 3-Hydroxy-3-methylglutaric acid 3-Hydroxy-3-methylpentanedioate 3-Hydroxy-3-methylpentanedioic acid 3-Hydroxymethylglutarate 3-Methyl-3-hydroxyglutarate 3-Methyl-3-hydroxyglutaric acid 3-Methyl-3-hydroxypentanedioate 3-Methyl-3-hydroxypentanedioic acid 3-hydroxy-3-methylpentanedioic acid Acid, 3-hydroxy-3-methylglutaric Acid, 3-hydroxy-3-methylpentanedioic CB 337 Dicrotalate Dicrotalic acid HMG HMGA Lipoglutaren Medroglutarate Medroglutaric acid Meglutol Meglutolum b-Hydroxy-b-methylglutarate b-Hydroxy-b-methylglutaric acid beta Hydroxy beta methylglutarate beta-Hydroxy-beta-methylglutarate beta-Hydroxy-beta-methylglutaric acid beta-hydroxy-beta-methylglutarate beta-hydroxy-beta-methylglutaric acid meglutol
SLM:000000862 slm:000000862 NPOAOTPXWNWTSH-UHFFFAOYSA-L	3-hydroxy-3-methylglutarate
CHEBI:30920 chebi:30920 NPOAOTPXWNWTSH-UHFFFAOYSA-M	3-hydroxy-3-methylglutarate(1-) 4-carboxy-3-hydroxy-3-methylbutanoate
metacyc.compound:CPD-547 metacycM:CPD-547 NPOAOTPXWNWTSH-UHFFFAOYSA-L	3-hydroxy-3-methylglutarate (S)-3-hydroxy-3-methylglutarate (S)-3-hydroxy-3-methylglutaric acid (S)-meglutol 3-hydroxy-3-methylglutaric acid 3-hydroxy-3-methylpentanedioic acid beta-hydroxy-beta-methylglutaric acid dicrotalic acid
CHEBI:16831 chebi:16831 NPOAOTPXWNWTSH-UHFFFAOYSA-N	3-hydroxy-3-methylglutaric acid (S)-3-Hydroxy-3-methylglutaric acid (S)-Meglutol 3-HYDROXY-3-METHYL-GLUTARIC ACID 3-Hydroxy-3-methylpentanedioic acid 3-hydroxy-3-methylpentanedioic acid Dicrotalic acid beta-Hydroxy-beta-methylglutaric acid beta-hydroxy-beta-methylglutaric acid meglutol meglutolum
kegg.drug:D04897 keggD:D04897 NPOAOTPXWNWTSH-UHFFFAOYSA-N	Meglutol (USAN/INN)
seed.compound:cpd02358 seedM:cpd02358 NPOAOTPXWNWTSH-UHFFFAOYSA-L	Meglutol (S)-3-Hydroxy-3-methylglutarate (S)-3-Hydroxy-3-methylglutaric acid (S)-Meglutol 3-Hydorxy-3-methylglutaric acid 3-Hydroxy-3-methylglutarate 3-Hydroxy-3-methylpentanedioic acid 3-hydorxy-3-methylglutaric acid 3-hydroxy-3-methylglutarate 3-hydroxy-3-methylpentanedioic acid Dicrotalic acid beta-Hydroxy-beta-methylglutaric acid dicrotalic acid
envipath:...8f3f7e8efb6c envipathM:...8f3f7e8efb6c NPOAOTPXWNWTSH-UHFFFAOYSA-L	compound 0001645
envipath:...7c820dd7be0f envipathM:...7c820dd7be0f NPOAOTPXWNWTSH-UHFFFAOYSA-L	compound 0099602
hmdb:HMDB00355 hmdb:HMDB0059737 hmdb:HMDB59737 chebi:11044 chebi:11813 chebi:1524 chebi:18746 chebi:20042 chebi:20043 chebi:391 chebi:43804 biggM:M_3h3mglt keggC:M_C03761 keggD:M_D04897 seedM:M_cpd02358 vmhM:M_3h3mglt vmhM:M_3hemthg	secondary/obsolete/fantasy identifier