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

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isobutanol

	Properties	Image
MNX_ID	MNXM5188
reference	chebi:46645
formula	C₄H₁₀O
global charge	0
mol weight	74.123
InChIKey	ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
InChI	InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
SMILES	CC(C)CO

MNX internals

InChI (mnx)	InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
SMILES (mnx)	[CH3:1][CH:4]([CH3:2])[CH2:3][OH:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:46645 chebi:46645 ZXEKIIBDNHEJCQ-UHFFFAOYSA-N	isobutanol 1-Hydroxymethylpropane 1-hydroxymethylpropane 2-Methyl-1-propanol 2-methyl-1-propanol 2-methylpropan-1-ol 2-methylpropanol IBA Isobutylalkohol i-Butanol i-Butyl alcohol iso-C4H9OH iso-butyl alcohol isobutyl alcohol isopropylcarbinol
lipidmaps:LMFA05000100 lipidmapsM:LMFA05000100 ZXEKIIBDNHEJCQ-UHFFFAOYSA-N	2-Methylpropan-1-ol 2-Methylpropan-1-ol FOH 4:0
hmdb:HMDB0006006 ZXEKIIBDNHEJCQ-UHFFFAOYSA-N	Isobutanol 1-Hydroxymethylpropane 2-Methyl propanol 2-Methyl-1-propanol 2-Methyl-1-propanyl alcohol 2-Methylpropan-1-ol 2-MethylpropanoI 2-Methylpropanol 2-Methylpropanol-1 2-Methylpropyl alcohol 2-methylpropan-1-ol Alcool isobutylique I-butanol I-butyl alcohol IBA Iso-C4H9OH Iso-butyl alcohol Isobutyl alcohol Isobutyl alcohol, aluminum salt Isobutyl alcohol, sodium salt Isobutyl alcohol, titanium (+4) salt Isobutylalkohol Isopropyl carbitol Isopropylcarbinol Methyl-2 propanol-1 isobutanol
kegg.compound:C14710 keggC:C14710 ZXEKIIBDNHEJCQ-UHFFFAOYSA-N	Isobutanol 1-Hydroxymethylpropane 2-Methyl-1-propanol 2-Methylpropan-1-ol Isobutyl alcohol
sabiork.compound:21962 sabiorkM:21962 ZXEKIIBDNHEJCQ-UHFFFAOYSA-N	Isobutanol 1-Hydroxymethylpropane 2-Methyl-1-propanol 2-Methylpropanol Isobutyl alcohol
bigg.metabolite:ibutoh biggM:ibutoh	Isobutyl alcohol
seed.compound:cpd10408 seedM:cpd10408 ZXEKIIBDNHEJCQ-UHFFFAOYSA-N	Isobutyl alcohol 1-Hydroxymethylpropane 1-hydroxymethylpropane 2-Methyl-1-propanol 2-methyl-1-propanol 2-methylpropanol butanol ibutoh isobutanol isobutyl alcohol
envipath:...192a1e1ace2f envipathM:...192a1e1ace2f ZXEKIIBDNHEJCQ-UHFFFAOYSA-N	compound 0044054
metacyc.compound:ISOBUTANOL metacycM:ISOBUTANOL ZXEKIIBDNHEJCQ-UHFFFAOYSA-N	isobutanol 1-hydroxymethylpropane 2-methyl-1-propanol 2-methylpropanol isobutyl alcohol
hmdb:HMDB06006 biggM:M_ibutoh keggC:M_C14710 seedM:M_cpd10408	secondary/obsolete/fantasy identifier