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

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heptan-1-ol

	Properties	Image
MNX_ID	MNXM18347
reference	chebi:43003
formula	C₇H₁₆O
global charge	0
mol weight	116.204
InChIKey	BBMCTIGTTCKYKF-UHFFFAOYSA-N
InChI	InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
SMILES	CCCCCCCO

MNX internals

InChI (mnx)	InChI=1/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:43003 chebi:43003 BBMCTIGTTCKYKF-UHFFFAOYSA-N	heptan-1-ol 1-heptanol FEMA 2548 alcohol C-7 enanthic alcohol enanthyl alcohol gentanol heptane-1-ol heptanol heptyl alcohol hydroxy heptane n-heptan-1-ol n-heptanol n-heptanol-1 n-heptyl alcohol
hmdb:HMDB0031479 BBMCTIGTTCKYKF-UHFFFAOYSA-N	1-Heptanol 1 Heptanol 1-Hydroxy heptane Alcohol C-7 Alcohol, heptyl Enanthic alcohol Enanthyl alcohol FEMA 2548 Gentanol Heptan-1-ol Heptane-1-ol Heptanol Heptyl alcohol Heptyl alcohol, 8ci Hydroxy heptane N Heptanol N-Heptan-1-ol N-Heptanol N-Heptanol-1 N-Heptyl alcohol heptan-1-ol heptanol
sabiork.compound:24977 sabiorkM:24977 BBMCTIGTTCKYKF-UHFFFAOYSA-N	Heptanol
envipath:...436b40f47b81 envipathM:...436b40f47b81 BBMCTIGTTCKYKF-UHFFFAOYSA-N	compound 0044335
metacyc.compound:CPD-9057 metacycM:CPD-9057 BBMCTIGTTCKYKF-UHFFFAOYSA-N	heptan-1-ol 1-heptanol heptanol heptyl alcohol
seed.compound:cpd25546 seedM:cpd25546 BBMCTIGTTCKYKF-UHFFFAOYSA-N	heptanol 1-heptanol heptyl alcohol
lipidmaps:LMFA05000122 lipidmapsM:LMFA05000122 BBMCTIGTTCKYKF-UHFFFAOYSA-N	n-heptanol 1-heptanol FOH 7:0 Heptan-1-ol
hmdb:HMDB31479 seedM:M_cpd25546	secondary/obsolete/fantasy identifier