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

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decane

	Properties	Image
MNX_ID	MNXM724551
reference	chebi:41808
formula	C₁₀H₂₂
global charge	0
mol weight	142.286
InChIKey	DIOQZVSQGTUSAI-UHFFFAOYSA-N
InChI	InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
SMILES	CCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][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:41808 chebi:41808 DIOQZVSQGTUSAI-UHFFFAOYSA-N	decane CH3-[CH2]8-CH3 DECANE Dekan n-Dekan n-decane
lipidmaps:LMFA11000568 lipidmapsM:LMFA11000568 DIOQZVSQGTUSAI-UHFFFAOYSA-N	Decane Decane
hmdb:HMDB0031450 DIOQZVSQGTUSAI-UHFFFAOYSA-N	N-Decane CH3-[CH2]8-CH3 Decane Dekan N-Dekan decane
envipath:...cb480e56019e envipathM:...cb480e56019e DIOQZVSQGTUSAI-UHFFFAOYSA-N	compound 0042745
metacyc.compound:CPD-9287 metacycM:CPD-9287 DIOQZVSQGTUSAI-UHFFFAOYSA-N	decane n-decane
seed.compound:cpd25628 seedM:cpd25628 DIOQZVSQGTUSAI-UHFFFAOYSA-N	n-decane
hmdb:HMDB31450 chebi:32894 chebi:41801 seedM:M_cpd25628	secondary/obsolete/fantasy identifier