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

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2-methylbutan-2-ol

	Properties	Image
MNX_ID	MNXM42002
reference	chebi:132750
formula	C₅H₁₂O
global charge	0
mol weight	88.15
InChIKey	MSXVEPNJUHWQHW-UHFFFAOYSA-N
InChI	InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
SMILES	CCC(C)(C)O

MNX internals

InChI (mnx)	InChI=1/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
SMILES (mnx)	[CH3:1][CH2:4][C:5]([CH3:2])([CH3:3])[OH:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:132750 chebi:132750 MSXVEPNJUHWQHW-UHFFFAOYSA-N	2-methylbutan-2-ol 1,1-dimethyl-1-propanol 2-methyl-2-butanol 2M2B 3-methylbutan-3-ol amylene hydrate dimethyl ethyl carbinol dimethylethylcarbinol ethyl dimethyl carbinol ethyldimethylcarbinol t-amyl alcohol t-pentyl alcohol tert-amyl alcohol tert-isoamyl alcohol tert-pentanol tert-pentyl alcohol
hmdb:HMDB0033772 MSXVEPNJUHWQHW-UHFFFAOYSA-N	2-Methyl-2-butanol 1,1-Dimethyl-1-propanol 2-BUTANOL,2-methyl 2-Methyl butanol-2 2-Methyl-2-butanol (tert-amyl alcohol) 2-Methylbutan-2-ol 2-methyl-2-butanol 2-methylbutan-2-ol 2m2b 3-Methyl-butanol-(3) 3-Methylbutan-3-ol Amylalkohol, tertiaerer Amylene hydrate Amylene hydrate (NF) Amylene hydrate, usan Amylene hydric acid Amylenum hydratum C2H5C(CH3)2oh Dimethyl ethyl carbinol Dimethylethylcarbinol Ethyl dimethyl carbinol Ethyldimethylcarbinol Methyl butanol Methyl-2 butanol-2 Methyl-3 butanol-3 Potassium t-amylate Tert-N-amyl alcohol Tert-amyl alcohol Tert-isoamyl alcohol Tert-pentanol Tert-pentyl alcohol t-Amyl alcohol t-Pentyl alcohol
seed.compound:cpd34262 seedM:cpd34262 MSXVEPNJUHWQHW-UHFFFAOYSA-N	2-methyl-2-butanol 2-methyl-butan-2-ol TAA tert-amyl alcohol tert-amylalcohol tertiary amyl alcohol
kegg.drug:D02931 keggD:D02931 MSXVEPNJUHWQHW-UHFFFAOYSA-N	Amylene hydrate (NF)
envipath:...a3ee47c2c80e envipathM:...a3ee47c2c80e MSXVEPNJUHWQHW-UHFFFAOYSA-N	compound 0282082
kegg.compound:C21401 keggC:C21401 MSXVEPNJUHWQHW-UHFFFAOYSA-N	tert-Amyl alcohol 2-Methyl-2-butanol TAA
metacyc.compound:CPD-19059 metacycM:CPD-19059 MSXVEPNJUHWQHW-UHFFFAOYSA-N	tert-amyl alcohol 2-methyl-2-butanol 2-methyl-butan-2-ol TAA tert-amylalcohol tertiary amyl alcohol
hmdb:HMDB33772 keggC:M_C21401 keggD:M_D02931 seedM:M_cpd34262	secondary/obsolete/fantasy identifier