RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153468
RefMet name	Capric acid
Alternative name	FA 10:0
Systematic name	decanoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 10:0	View other entries in RefMet with this sum composition
Exact mass	172.146330 (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	C10H20O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	32 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChIKey	GHVNFZFCNZKVNT-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCCCC(=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 Capric 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 Capric acid
External Links
Pubchem CID	2969
LIPID MAPS	LMFA01010010
ChEBI ID	30813
KEGG ID	C01571
HMDB ID	HMDB0000511
Chemspider ID	2863
MetaCyc ID	CPD-3617
EPA CompTox	DTXCID201554
Spectral data for Capric 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 Capric acid

Rxn ID	KEGG Reaction	Enzyme
R08158	Decanoyl-[acp] + H2O <=> Acyl-carrier protein + Decanoic acid	decanoyl-[acyl-carrier protein] hydrolase

Table of KEGG human pathways containing Capric acid

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