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

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dodecane

	Properties	Image
MNX_ID	MNXM724619
reference	chebi:28817
formula	C₁₂H₂₆
global charge	0
mol weight	170.34
InChIKey	SNRUBQQJIBEYMU-UHFFFAOYSA-N
InChI	InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
SMILES	CCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28817 chebi:28817 SNRUBQQJIBEYMU-UHFFFAOYSA-N	dodecane Bihexyl CH3-[CH2]10-CH3 DODECANE Dihexyl Dodecane Dodekan n-Dodecane
envipath:...dd7f84c2be4d envipathM:...dd7f84c2be4d envipath:...9a2cd8519ee2 envipathM:...9a2cd8519ee2 SNRUBQQJIBEYMU-UHFFFAOYSA-N	Dodecane
seed.compound:cpd05286 seedM:cpd05286 SNRUBQQJIBEYMU-UHFFFAOYSA-N	Dodecane dodecane n-Dodecane n-dodecane
kegg.compound:C08374 keggC:C08374 SNRUBQQJIBEYMU-UHFFFAOYSA-N	Dodecane n-Dodecane
hmdb:HMDB0031444 SNRUBQQJIBEYMU-UHFFFAOYSA-N	N-Dodecane Adakane 12 Bihexyl CH3-[CH2]10-CH3 Dihexyl Dodecane Dodekan Duodecane dodecane
envipath:...1c0549bc1853 envipathM:...1c0549bc1853 SNRUBQQJIBEYMU-UHFFFAOYSA-N	compound 0042779
lipidmaps:LMFA11000004 lipidmapsM:LMFA11000004 SNRUBQQJIBEYMU-UHFFFAOYSA-N	dodecane dodecane n-Dodecane
metacyc.compound:CPD-9290 metacycM:CPD-9290 SNRUBQQJIBEYMU-UHFFFAOYSA-N	dodecane n-dodecane
hmdb:HMDB31444 chebi:25464 chebi:41713 chebi:4675 keggC:M_C08374 seedM:M_cpd05286	secondary/obsolete/fantasy identifier