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

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3-methylbutanol

	Properties	Image
MNX_ID	MNXM1670
reference	chebi:15837
formula	C₅H₁₂O
global charge	0
mol weight	88.15
InChIKey	PHTQWCKDNZKARW-UHFFFAOYSA-N
InChI	InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
SMILES	CC(C)CCO

MNX internals

InChI (mnx)	InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
SMILES (mnx)	[CH3:1][CH:5]([CH3:2])[CH2:3][CH2:4][OH:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15837 chebi:15837 PHTQWCKDNZKARW-UHFFFAOYSA-N	3-methylbutanol 1-HYDROXY-3-METHYLBUTANE 2-methyl-4-butanol 3-Methylbutanol 3-methyl-1-butanol 3-methylbutan-1-ol Iso-amylalkohol Isoamyl alcohol Isopentyl alcohol Isopentylalkohol alcool isoamylique i-amyl alcohol isoamylol isobutylcarbinol isopentan-1-ol isopentanol primary isoamyl alcohol
lipidmaps:LMFA05000108 lipidmapsM:LMFA05000108 PHTQWCKDNZKARW-UHFFFAOYSA-N	3-Methylbutan-1-ol 3-Methylbutan-1-ol FOH 5:0
kegg.compound:C07328 keggC:C07328 PHTQWCKDNZKARW-UHFFFAOYSA-N	3-Methylbutanol 3-Methylbutan-1-ol Isoamyl alcohol Isopentyl alcohol
sabiork.compound:9439 sabiorkM:9439 PHTQWCKDNZKARW-UHFFFAOYSA-N	3-Methylbutanol Isoamyl alcohol Isopentyl alcohol
metacyc.compound:CPD-7032 metacycM:CPD-7032 PHTQWCKDNZKARW-UHFFFAOYSA-N	3-methylbutanol isoamyl alcohol isopentanol
bigg.metabolite:iamoh biggM:iamoh	Isoamyl alcohol
seed.compound:cpd04533 seedM:cpd04533 PHTQWCKDNZKARW-UHFFFAOYSA-N	Isoamyl alcohol 3-Methylbutanol 3-methylbutanol Isopentyl alcohol iamoh isoamyl alcohol isopentanol
hmdb:HMDB0006007 PHTQWCKDNZKARW-UHFFFAOYSA-N	Isopentanol 1-HYDROXY-3-methylbutane 2-Methyl-4-butanol 3-Methyl-1-butanol 3-Methyl-butan-(1)-ol 3-Methyl-butanol 3-Methylbutan-1-ol 3-MethylbutanoI 3-Methylbutanol 3-methylbutan-1-ol Alcool isoamylique Butan-1-ol, 3-methyl Fermentation amyl alcohol Fusel oil I-amyl alcohol Iso-amylalkohol Isoamyl alcohol Isoamyl alcohol (3-methyl butanol) Isoamyl alcohol (natural) Isoamyl alkohol Isoamylalcohol Isoamylol Isobutyl carbinol Isobutylcarbinol Isopentan-1-ol Isopentyl alcohol Isopentyl alcohol, 1-(14)C-labeled Isopentyl alcohol, barium salt Isopentyl alcohol, lead (2+) salt Isopentyl alcohol, magnesium salt Isopentyl alcohol, potassium salt Isopentyl alcohol, sodium salt Isopentyl alcohol, strontium salt Isopentylalkohol Methyl-3-butan-1-ol Primary isoamyl alcohol iso-Amyl alcohol isoamyl alcohol
envipath:...fddcadab6b92 envipathM:...fddcadab6b92 PHTQWCKDNZKARW-UHFFFAOYSA-N	compound 0046471
hmdb:HMDB06007 chebi:11855 chebi:1597 chebi:20125 chebi:43359 biggM:M_iamoh keggC:M_C07328 seedM:M_cpd04533	secondary/obsolete/fantasy identifier