RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0052993
RefMet name	2-Methyl-5-isopropylhexa-2Z,5-dienal
Systematic name	2-Methyl-5-isopropylhexa-2Z,5-dienal
Synonyms	PubChem Synonyms
Exact mass	152.120115 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C10H16O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	28028 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3/b9-5-
InChIKey	KDMDLRXLBMMBSU-UITAMQMPSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(C)C(=C)C/C=C(/C)\C=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Prenol Lipids
Main Class	Isoprenoids
Sub Class	C10 isoprenoids
Distribution of 2-Methyl-5-isopropylhexa-2Z,5-dienal in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting 2-Methyl-5-isopropylhexa-2Z,5-dienal
External Links
Pubchem CID	5280680
LIPID MAPS	LMPR0102020001
ChEBI ID	17546
KEGG ID	C04435
MetaCyc ID	Z-2-METHYL-5-ISOPROPYLHEXA-25-DIENAL
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)