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

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tert-butanol

	Properties	Image
MNX_ID	MNXM22008
reference	chebi:45895
formula	C₄H₁₀O
global charge	0
mol weight	74.123
InChIKey	DKGAVHZHDRPRBM-UHFFFAOYSA-N
InChI	InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
SMILES	CC(C)(C)O

MNX internals

InChI (mnx)	InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H3
SMILES (mnx)	[CH3:1][C:4]([CH3:2])([CH3:3])[OH:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	15
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:45895 chebi:45895 DKGAVHZHDRPRBM-UHFFFAOYSA-N	tert-butanol (CH3)3C-OH 1,1-dimethylethanol 2-methylpropan-2-ol TERTIARY-BUTYL ALCOHOL t-Butylalkohol t-butanol t-butyl alchohol tert-butyl alcohol trimethylcarbinol trimethylmethanol
hmdb:HMDB0031456 DKGAVHZHDRPRBM-UHFFFAOYSA-N	2-Methylpropan-2-ol (CH3)3C-OH 1,1-Dimethylethanol 2-Methyl N-propan-2-ol 2-Methyl-2-propanol 2-methyl-2-propanol 2-methylpropan-2-ol Alcohol, tert-butyl Alcohol, tertiary-butyl Dimethylethanol TERTIARY-butyl alcohol Tert butanol Tert butyl alcohol Tert-butanol Tert-butyl alcohol Tert-butyl hydroxide Tert-butylalcohol Tertiary butyl alcohol Trimethyl carbinol Trimethyl methanol Trimethyl-methanol Trimethylcarbinol Trimethylmethanol t Butanol t-Butanol t-Butyl alchohol t-Butyl alcohol t-Butyl hydroxide t-Butylalkohol
seed.compound:cpd33147 seedM:cpd33147 DKGAVHZHDRPRBM-UHFFFAOYSA-N	2-methyl-2-propanol 2-methylpropan-2-ol TBA tert-butyl alcohol tertiary butyl alcohol
envipath:...0f438045ed80 envipathM:...0f438045ed80 DKGAVHZHDRPRBM-UHFFFAOYSA-N	compound 0285787
sabiork.compound:20876 sabiorkM:20876 DKGAVHZHDRPRBM-UHFFFAOYSA-N	t-Butanol
envipath:...524c065bd4e5 envipathM:...524c065bd4e5 DKGAVHZHDRPRBM-UHFFFAOYSA-N	tert-Butyl alcohol
kegg.compound:C21389 keggC:C21389 DKGAVHZHDRPRBM-UHFFFAOYSA-N	tert-Butyl alcohol tert-Butanol
metacyc.compound:CPD-19012 metacycM:CPD-19012 DKGAVHZHDRPRBM-UHFFFAOYSA-N	tert-butyl alcohol 2-methyl-2-propanol 2-methylpropan-2-ol TBA tertiary butyl alcohol
hmdb:HMDB31456 chebi:26877 chebi:45893 keggC:M_C21389 seedM:M_cpd33147	secondary/obsolete/fantasy identifier