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

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butan-1-ol

	Properties	Image
MNX_ID	MNXM3230
reference	chebi:28885
formula	C₄H₁₀O
global charge	0
mol weight	74.123
InChIKey	LRHPLDYGYMQRHN-UHFFFAOYSA-N
InChI	InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
SMILES	CCCCO

MNX internals

InChI (mnx)	InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][OH:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	37
in models (compartimentalized)	8

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28885 chebi:28885 LRHPLDYGYMQRHN-UHFFFAOYSA-N	butan-1-ol 1-BUTANOL 1-Butanol 1-butyl alcohol 1-hydroxybutane BuOH n-Butanol n-Butylalkohol n-butan-1-ol n-butyl alcohol propyl carbinol
bigg.metabolite:1btol biggM:1btol	1-Butanol
hmdb:HMDB0004327 LRHPLDYGYMQRHN-UHFFFAOYSA-N	1-Butanol 1 Butanol 1-Butyl alcohol 1-Hydroxybutane Alcohol, N-butyl Alcohol, butyl BuOH Butan-1-ol Butanol Butyl alcohol Butyl hydroxide Hemostyp Methylolpropane N Butanol N Butyl alcohol N-Butan-1-ol N-Butanol N-Butyl alcohol N-Butylalkohol Propyl carbinol Propylcarbinol butan-1-ol butanol
kegg.compound:C06142 keggC:C06142 LRHPLDYGYMQRHN-UHFFFAOYSA-N	1-Butanol Butan-1-ol n-Butanol
sabiork.compound:2869 sabiorkM:2869 LRHPLDYGYMQRHN-UHFFFAOYSA-N	1-Butanol n-Butanol
lipidmaps:LMFA05000109 lipidmapsM:LMFA05000109 LRHPLDYGYMQRHN-UHFFFAOYSA-N	Butan-1-ol Butan-1-ol FOH 4:0
bigg.metabolite:btoh biggM:btoh sabiork.compound:25507 sabiorkM:25507 LRHPLDYGYMQRHN-UHFFFAOYSA-N	Butanol
kegg.drug:D03200 keggD:D03200 LRHPLDYGYMQRHN-UHFFFAOYSA-N	Butyl alcohol (NF) 1-Butanol
SLM:000501425 slm:000501425 LRHPLDYGYMQRHN-UHFFFAOYSA-N	butan-1-ol
metacyc.compound:BUTANOL metacycM:BUTANOL LRHPLDYGYMQRHN-UHFFFAOYSA-N	butan-1-ol 1-butanol 1-hydroxybutane butanol n-butanol n-butyl alcohol
vmhM:btoh vmhmetabolite:btoh LRHPLDYGYMQRHN-UHFFFAOYSA-N	butanol butan-1-ol
envipath:...f605c1d10146 envipathM:...f605c1d10146 LRHPLDYGYMQRHN-UHFFFAOYSA-N	compound 0044970
seed.compound:cpd03662 seedM:cpd03662 LRHPLDYGYMQRHN-UHFFFAOYSA-N	n-Butanol 1-Butanol 1-butanol 1-hydroxybutane Butanol butan-1-ol n-butanol n-butyl alcohol
hmdb:HMDB04327 chebi:22936 chebi:39632 chebi:612 biggM:M_1btol biggM:M_btoh keggC:M_C06142 keggD:M_D03200 seedM:M_cpd03662 vmhM:M_btoh	secondary/obsolete/fantasy identifier