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

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hexadecane

	Properties	Image
MNX_ID	MNXM724803
reference	chebi:45296
formula	C₁₆H₃₄
global charge	0
mol weight	226.448
InChIKey	DCAYPVUWAIABOU-UHFFFAOYSA-N
InChI	InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
SMILES	CCCCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:14][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)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:45296 chebi:45296 DCAYPVUWAIABOU-UHFFFAOYSA-N	hexadecane CH3-[CH2]14-CH3 Cetan HEXADECANE Hexadekan Zetan cetane n-cetane n-hexadecane
hmdb:HMDB0033792 DCAYPVUWAIABOU-UHFFFAOYSA-N	Hexadecane 1,2-Epoxyhexadecane CH3-[CH2]14-CH3 CNS Cetan Cetane Hexadekan N-Cetane N-Hexadecane Zetan cetane hexadecane
lipidmaps:LMFA11000577 lipidmapsM:LMFA11000577 DCAYPVUWAIABOU-UHFFFAOYSA-N	Hexadecane Hexadecane
seed.compound:cpd25323 seedM:cpd25323 DCAYPVUWAIABOU-UHFFFAOYSA-N	cetane hexadecane n-cetane n-hexadecane
envipath:...68d671778205 envipathM:...68d671778205 DCAYPVUWAIABOU-UHFFFAOYSA-N	compound 0042848
metacyc.compound:CPD-8509 metacycM:CPD-8509 DCAYPVUWAIABOU-UHFFFAOYSA-N	hexadecane cetane n-cetane n-hexadecane
hmdb:HMDB33792 chebi:32910 chebi:45292 seedM:M_cpd25323	secondary/obsolete/fantasy identifier