RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0151650
RefMet name	Oleic acid
Alternative name	FA 18:1(9Z)
Systematic name	9Z-octadecenoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 18:1	View other entries in RefMet with this sum composition
Exact mass	282.255880 (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	C18H34O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	437 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
InChIKey	ZQPPMHVWECSIRJ-KTKRTIGZSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Unsaturated FA
Distribution of Oleic acid 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 Oleic acid
External Links
Pubchem CID	445639
LIPID MAPS	LMFA01030002
ChEBI ID	16196
KEGG ID	C00712
HMDB ID	HMDB0000207
Chemspider ID	393217
MetaCyc ID	OLEATE-CPD
EPA CompTox	DTXCID4028090
Spectral data for Oleic acid standards
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Oleic acid

Rxn ID	KEGG Reaction	Enzyme
R08176	Oleoyl-CoA + H2O <=> CoA + (9Z)-Octadecenoic acid	oleoyl-CoA hydrolase

Table of KEGG human pathways containing Oleic acid

Pathway ID	Human Pathway	# of reactions
hsa01040	Biosynthesis of unsaturated fatty acids	1