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

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4-methylpentan-1-ol

	Properties	Image
MNX_ID	MNXM37636
reference	chebi:63910
formula	C₆H₁₄O
global charge	0
mol weight	102.177
InChIKey	PCWGTDULNUVNBN-UHFFFAOYSA-N
InChI	InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
SMILES	CC(C)CCCO

MNX internals

InChI (mnx)	InChI=1/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
SMILES (mnx)	[CH3:1][CH:6]([CH3:2])[CH2:4][CH2:3][CH2:5][OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-196066 reactomeM:R-ALL-196066 CHEBI:63910 chebi:63910 PCWGTDULNUVNBN-UHFFFAOYSA-N	4-methylpentan-1-ol 2-Methyl-5-pentanol 4-Methyl-1-pentanol 4-Methylpentanol Isohexanol Isohexyl alcohol iso-Hexanol
lipidmaps:LMFA05000541 lipidmapsM:LMFA05000541 PCWGTDULNUVNBN-UHFFFAOYSA-N	4-Methyl-1-pentanol 4-Methyl-pentan-1-ol FOH 6:0
vmhM:M01014 vmhmetabolite:M01014 PCWGTDULNUVNBN-UHFFFAOYSA-N	4-Methylpentan-1-Ol 4-methylpentan-1-ol
sabiork.compound:25804 sabiorkM:25804 PCWGTDULNUVNBN-UHFFFAOYSA-N	4-Methylpentan-1-ol
hmdb:HMDB0059889 PCWGTDULNUVNBN-UHFFFAOYSA-N	Isohexanol 2-Methyl-5-pentanol 4-Methyl-1-pentanol 4-Methylpentan-1-ol 4-Methylpentanol 4-methyl-1-pentanol 4-methylpentan-1-ol Iso-hexanol Isohexyl alcohol
hmdb:HMDB59889 vmhM:M_M01014	secondary/obsolete/fantasy identifier