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

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octan-2-ol

	Properties	Image
MNX_ID	MNXM65337
reference	chebi:37869
formula	C₈H₁₈O
global charge	0
mol weight	130.231
InChIKey	SJWFXCIHNDVPSH-UHFFFAOYSA-N
InChI	InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
SMILES	CCCCCCC(C)O

MNX internals

InChI (mnx)	InChI=1/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8?
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH:8]([CH3:2])[OH:9]

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:37869 chebi:37869 SJWFXCIHNDVPSH-UHFFFAOYSA-N	octan-2-ol 1-methyl-1-heptanol 1-methylheptyl alcohol 2-hydroxyoctane 2-octanol 2-octyl alcohol beta-octyl alcohol hexyl methyl carbinol hexylmethylcarbinol methyl hexyl carbinol methylhexylcarbinol n-octan-2-ol s-octyl alcohol sec-caprylic alcohol sec-octyl alcohol secondary caprylic alcohol
hmdb:HMDB0034261 SJWFXCIHNDVPSH-UHFFFAOYSA-N	(+/-)-2-Octanol (+/-)-2-octanol (RS)-2-Octanol 1-Methyl-1-heptanol 1-Methylheptyl alcohol 2-Hydroxyoctane 2-Octanol 2-Octanol, (R)-isomer 2-Octanol, (S)-isomer 2-Octyl alcohol 2-octanol DL-2-Octanol Hexyl methyl carbinol Hexylmethylcarbinol Methyl hexyl carbinol Methylhexylcarbinol N-Octan-2-ol S-Octyl alcohol Sec-caprylic alcohol Sec-octyl alcohol Secondary caprylic alcohol b-Octyl alcohol beta-Octyl alcohol beta-octyl alcohol octan-2-ol
lipidmaps:LMFA05000620 lipidmapsM:LMFA05000620 SJWFXCIHNDVPSH-UHFFFAOYSA-N	2-Octanol FOH 8:0 octan-2-ol
seed.compound:cpd35670 seedM:cpd35670 SJWFXCIHNDVPSH-UHFFFAOYSA-N	2-octanol 2-octyl alcohol octan-2-ol
envipath:...3144da815344 envipathM:...3144da815344 envipath:...0962f776a7a7 envipathM:...0962f776a7a7 sabiork.compound:30063 sabiorkM:30063 SJWFXCIHNDVPSH-UHFFFAOYSA-N	Octan-2-ol
metacyc.compound:CPD-18995 metacycM:CPD-18995 SJWFXCIHNDVPSH-UHFFFAOYSA-N	octan-2-ol 2-octanol 2-octyl alcohol
hmdb:HMDB34261 seedM:M_cpd35670	secondary/obsolete/fantasy identifier