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

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2-ethylhexan-1-ol

	Properties	Image
MNX_ID	MNXM4288
reference	chebi:16011
formula	C₈H₁₈O
global charge	0
mol weight	130.231
InChIKey	YIWUKEYIRIRTPP-UHFFFAOYSA-N
InChI	InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
SMILES	CCCCC(CC)CO

MNX internals

InChI (mnx)	InChI=1/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8?
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:6][CH:8]([CH2:4][CH3:2])[CH2:7][OH:9]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16011 chebi:16011 YIWUKEYIRIRTPP-UHFFFAOYSA-N	2-ethylhexan-1-ol 2-Ethyl-1-hexanol 2-Ethylhexan-1-ol 2-ethyl-1-hexanol
seed.compound:cpd01641 seedM:cpd01641 YIWUKEYIRIRTPP-UHFFFAOYSA-N	2-Ethyl-1-hexanol 2-Ethylhexan-1-ol 2-Ethylhexyl alcohol 2-ethylhexan-1-ol 2-ethylhexanol Octyl alcohol
kegg.compound:C02498 keggC:C02498 YIWUKEYIRIRTPP-UHFFFAOYSA-N	2-Ethylhexan-1-ol 2-Ethyl-1-hexanol
metacyc.compound:2-ETHYLHEXAN-1-OL metacycM:2-ETHYLHEXAN-1-OL YIWUKEYIRIRTPP-UHFFFAOYSA-N	2-ethylhexan-1-ol 2-Ethylhexyl alcohol 2-ethylhexanol Octyl alcohol
envipath:...d32427e78223 envipathM:...d32427e78223 YIWUKEYIRIRTPP-UHFFFAOYSA-N	compound 0047418
hmdb:HMDB0031231 YIWUKEYIRIRTPP-UHFFFAOYSA-N	xi-2-Ethyl-1-hexanol 2-Ethyl-1-hexanol 2-Ethylhexanol 2-Ethylhexanol, titanium (4+) salt 2-ethylhexan-1-ol 2-ethylhexanol FEMA 3151
lipidmaps:LMFA05000703 lipidmapsM:LMFA05000703 YIWUKEYIRIRTPP-UHFFFAOYSA-N	xi-2-Ethyl-1-hexanol 2-ethylhexan-1-ol FOH 8:0
hmdb:HMDB31231 chebi:1093 chebi:11574 chebi:19574 keggC:M_C02498 seedM:M_cpd01641	secondary/obsolete/fantasy identifier