RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0149943
RefMet name	Lauric acid
Alternative name	FA 12:0
Systematic name	dodecanoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 12:0	View other entries in RefMet with this sum composition
Exact mass	200.177630 (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	C12H24O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	34 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKey	POULHZVOKOAJMA-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCCCCCC(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Saturated FA
Distribution of Lauric 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 Lauric acid
External Links
Pubchem CID	3893
LIPID MAPS	LMFA01010012
ChEBI ID	30805
KEGG ID	C02679
HMDB ID	HMDB0000638
Chemspider ID	3756
MetaCyc ID	DODECANOATE
EPA CompTox	DTXCID801590
Spectral data for Lauric acid standards
BMRB ID(NMR)	View NMR spectra
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 Lauric acid

Rxn ID	KEGG Reaction	Enzyme
R04014	Dodecanoyl-[acyl-carrier protein] + H2O <=> Acyl-carrier protein + Dodecanoic acid	dodecanoyl-[acyl-carrier-protein] hydrolase

Table of KEGG human pathways containing Lauric acid

Pathway ID	Human Pathway	# of reactions
hsa00061	Fatty acid biosynthesis	1