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

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hexane

	Properties	Image
MNX_ID	MNXM56425
reference	chebi:29021
formula	C₆H₁₄
global charge	0
mol weight	86.178
InChIKey	VLKZOEOYAKHREP-UHFFFAOYSA-N
InChI	InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
SMILES	CCCCCC

MNX internals

InChI (mnx)	InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:6][CH2:4][CH3:2]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:29021 chebi:29021 VLKZOEOYAKHREP-UHFFFAOYSA-N	hexane CH3-[CH2]4-CH3 HEXANE Hexan Hexane n-Hexane
hmdb:HMDB0029600 VLKZOEOYAKHREP-UHFFFAOYSA-N	Hexane CH3-[CH2]4-CH3 Hexan Hexanes Isohexane Isohexanes N-Hexane N-Hexane, 1-(13)C-labeled CPD N-Hexane, 2-(13)C-labeled CPD N-Hexane, 3-(13)C-labeled CPD hexane
seed.compound:cpd08132 seedM:cpd08132 VLKZOEOYAKHREP-UHFFFAOYSA-N	Hexane hexane n-Hexane n-hexane
envipath:...96ffa1865457 envipathM:...96ffa1865457 VLKZOEOYAKHREP-UHFFFAOYSA-N	compound 0053092
lipidmaps:LMFA11000007 lipidmapsM:LMFA11000007 VLKZOEOYAKHREP-UHFFFAOYSA-N	hexane hexane n-Hexane
metacyc.compound:CPD-9288 metacycM:CPD-9288 VLKZOEOYAKHREP-UHFFFAOYSA-N	hexane n-hexane
envipath:...3c8a8156534d envipathM:...3c8a8156534d VLKZOEOYAKHREP-UHFFFAOYSA-N	n-Hexane
kegg.compound:C11271 keggC:C11271 VLKZOEOYAKHREP-UHFFFAOYSA-N	n-Hexane Hexane
hmdb:HMDB29600 chebi:10606 chebi:24566 chebi:24568 chebi:43148 keggC:M_C11271 seedM:M_cpd08132	secondary/obsolete/fantasy identifier