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

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2-butyloctan-1-ol

	Properties	Image
MNX_ID	MNXM116655
reference	chebi:84235
formula	C₁₂H₂₆O
global charge	0
mol weight	186.339
InChIKey	XMVBHZBLHNOQON-UHFFFAOYSA-N
InChI	InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3
SMILES	CCCCCCC(CO)CCCC

MNX internals

InChI (mnx)	InChI=1/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3/t12?
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH2:10][CH:12]([CH2:9][CH2:6][CH2:4][CH3:2])[CH2:11][OH:13]

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:84235 chebi:84235 XMVBHZBLHNOQON-UHFFFAOYSA-N	2-butyloctan-1-ol 2-butyl-1-octanol 2-butyloctanol 2-butyloctyl alcohol 5-(hydroxymethyl)undecane butyloctanol
hmdb:HMDB0041288 XMVBHZBLHNOQON-UHFFFAOYSA-N	2-Butyl-1-octanol (+-)-2,3,5,6-tetrahydro-6-phenylimidazo(2,1-b)Thiazole (+-)-Tetramisole (-)-Tetramisole hydrochloride (.+-.)-tetramisole 2,3,5,6-tetrahydro-6-Phenyl-(+-)-imidazo(2,1-b)thiazole 2,3,5,6-tetrahydro-6-Phenyl-(S)-imidazo[2,1-b]thiazole 2,3,5,6-tetrahydro-6-Phenyl-imidazo(2,1-b)thiazole 2,3,5,6-tetrahydro-6-Phenyl-imidazo[2,1-b]thiazole 2-Butyloctan-1-ol 2-Butyloctanol 2-Butyloctyl alcohol 2-butyloctan-1-ol 5-(Hydroxymethyl)undecane 5-Hydroxymethylundecane 6-Phenyl-2,3,5,6-tetrahydro-imidazo[2,1-b]thiazole 6-Phenyl-2,3,5,6-tetrahydroimidazo(2,1-b)thiazole Butyloctanol DL-2,3,5,6-tetrahydro-6-phenylimidazo(2,1-b)Thiazole DL-Tetramisol DL-Tetramisole Dexamisole Isododecyl alcohol Ketrax Michel xo-150-12 Nilverm base Phenyl imidothiazole Tetramisol Tetramisole Tetramisole hydrochloride Tetramisolo Tetramisolum butyloctanol
lipidmaps:LMFA05000612 lipidmapsM:LMFA05000612 XMVBHZBLHNOQON-UHFFFAOYSA-N	2-Butyl-1-octanol 2-butyloctan-1-ol FOH 12:0
kegg.compound:C22404 keggC:C22404 XMVBHZBLHNOQON-UHFFFAOYSA-N	2-Butyloctan-1-ol
metacyc.compound:CPD-21752 metacycM:CPD-21752 XMVBHZBLHNOQON-UHFFFAOYSA-N	2-butyl-1-octanol 2-butyloctanol 2-butyloctyl alcohol 5-(hydroxymethyl)undecane butyloctanol
hmdb:HMDB41288 keggC:M_C22404	secondary/obsolete/fantasy identifier