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

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linalool

	Properties	Image
MNX_ID	MNXM1483
reference	chebi:17580
formula	C₁₀H₁₈O
global charge	0
mol weight	154.253
InChIKey	CDOSHBSSFJOMGT-UHFFFAOYSA-N
InChI	InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
SMILES	C=CC(C)(O)CCC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10?
SMILES (mnx)	[CH2:1]=[CH:5][C:10]([CH3:4])([CH2:8][CH2:6][CH:7]=[C:9]([CH3:2])[CH3:3])[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	15
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9737188 reactomeM:R-ALL-9737188 CHEBI:17580 chebi:17580 CDOSHBSSFJOMGT-UHFFFAOYSA-N	linalool 2,6-dimethylocta-2,7-dien-6-ol 3,7-Dimethylocta-1,6-dien-3-ol 3,7-dimethylocta-1,6-dien-3-ol Linalool beta-linalool linalyl alcohol
vmhM:lnl vmhmetabolite:lnl CDOSHBSSFJOMGT-UHFFFAOYSA-N	(3R)-Linalool 3,7-dimethylocta-1,6-dien-3-ol
metacyc.compound:Linalools metacycM:Linalools CDOSHBSSFJOMGT-UHFFFAOYSA-N	(RS)-linalool 3,7-dimethylocta-1,6-dien-3-ol linalool linalyl alcohol
hmdb:HMDB0036100 CDOSHBSSFJOMGT-UHFFFAOYSA-N	3,7-Dimethyl-1,6-octadien-3-ol (RS)-Linalool 2,6-Dimethyl-2,7-octadien-6-ol 2,6-Dimethyl-2,7-octadiene-6-ol 2,6-Dimethylocta-2,7-dien-6-ol 3,7-Dimethyl-1, 6-octadien-3-ol 3,7-Dimethylocta-1,6-dien-3-ol 3,7-dimethylocta-1,6-dien-3-ol 7-Methyl-3-methyleneocta-4,6-dien-2-ol Allo-ocimenol FEMA 2635 Linalol Linalool Linalool b Linalool, (+-)-isomer Linalool, (R)-isomer Linalool, (S)-isomer Linalool, titanium (4+) salt Linalyl alcohol Linanool Linolool Muguol b-Linalool beta-Linalool beta-linalool linalool, (+-)-
sabiork.compound:6997 sabiorkM:6997 CDOSHBSSFJOMGT-UHFFFAOYSA-N	3,7-Dimethylocta-1,6-dien-3-ol Linalool
seed.compound:cpd27408 seedM:cpd27408 CDOSHBSSFJOMGT-UHFFFAOYSA-N	Linalools
kegg.compound:C03985 keggC:C03985 CDOSHBSSFJOMGT-UHFFFAOYSA-N	Linalool (RS)-Linalool 3,7-Dimethylocta-1,6-dien-3-ol
seed.compound:cpd02471 seedM:cpd02471 CDOSHBSSFJOMGT-UHFFFAOYSA-N	Linalool 3,7-Dimethylocta-1,6-dien-3-ol
hmdb:HMDB36100 chebi:11712 chebi:1417 chebi:19917 keggC:M_C03985 seedM:M_cpd02471 seedM:M_cpd27408 vmhM:M_lnl	secondary/obsolete/fantasy identifier