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

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2-methylbutan-1-ol

	Properties	Image
MNX_ID	MNXM5476
reference	chebi:48945
formula	C₅H₁₂O
global charge	0
mol weight	88.15
InChIKey	QPRQEDXDYOZYLA-UHFFFAOYSA-N
InChI	InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
SMILES	CCC(C)CO

MNX internals

InChI (mnx)	InChI=1/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5?
SMILES (mnx)	[CH3:1][CH2:3][CH:5]([CH3:2])[CH2:4][OH:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:48945 chebi:48945 QPRQEDXDYOZYLA-UHFFFAOYSA-N	2-methylbutan-1-ol 2-methyl butanol-1 2-methyl-1-butanol 2-methyl-n-butanol 2-methylbutanol 2-methylbutyl alcohol CH3CH2CH(CH3)CH2OH active amyl alcohol active primary amyl alcohol methyl-2-butan-1-ol primary active amyl alcohol sec-butylcarbinol
hmdb:HMDB0031527 QPRQEDXDYOZYLA-UHFFFAOYSA-N	(S)-2-Methyl-1-butanol (+/-)-2-methyl-1-butanol (1)-2-Methylbutan-1-ol (S)-(-)-2-Methyl-1-butanol (S)-2-Methylbutan-1-ol 2-Methyl butanol-1 2-Methyl-(.+/-.)-1-butanol 2-Methyl-(2S)-1-butanol 2-Methyl-(S)-1-butanol 2-Methyl-1-butanol 2-Methyl-N-butanol 2-Methylbutan-1-ol 2-Methylbutanol 2-Methylbutyl alcohol 2-methyl-1-butanol 2-methylbutan-1-ol Active amyl alcohol Active primary amyl alcohol CH3CH2CH(CH3)CH2OH D-2-METHYL-1-butanol DL-2-METHYL-1-butanol, pract DL-2-Methyl-1-butanol DL-Sec-butyl carbinol L-2-Methyl-1-butanol Methyl-2-butan-1-ol Primary active amyl alcohol Sec-butyl carbinol Sec-butylcarbinol
bigg.metabolite:2mbtoh biggM:2mbtoh	2 methyl 1 butanol
lipidmaps:LMFA05000104 lipidmapsM:LMFA05000104 QPRQEDXDYOZYLA-UHFFFAOYSA-N	2-Methylbutan-1-ol 2-Methylbutan-1-ol FOH 5:0
sabiork.compound:24989 sabiorkM:24989 QPRQEDXDYOZYLA-UHFFFAOYSA-N	2-Methylbutanol 2-Methyl-1-butanol 2-Methylbutan-1-ol
seed.compound:cpd16873 seedM:cpd16873	2-methyl-1-butanol 2mbtoh
seed.compound:cpd24695 seedM:cpd24695 QPRQEDXDYOZYLA-UHFFFAOYSA-N	2-methyl-n-butanol 2-methylbutanol 2-methylbutyl alcohol active amyl alcohol sec-butylcarbinol
metacyc.compound:CPD-7033 metacycM:CPD-7033 QPRQEDXDYOZYLA-UHFFFAOYSA-N	2-methylbutanol 2-methyl-n-butanol 2-methylbutyl alcohol active amyl alcohol sec-butylcarbinol
envipath:...9e3814074827 envipathM:...9e3814074827 QPRQEDXDYOZYLA-UHFFFAOYSA-N	compound 0282073
hmdb:HMDB31527 biggM:M_2mbtoh seedM:M_cpd16873 seedM:M_cpd24695	secondary/obsolete/fantasy identifier