Structure database (LMSD)

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MDLMOL SDF CSV TSV MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM ID	LMFA01010010
Common Name	Capric acid (W)
Systematic Name	Decanoic acid
Synonyms	C10:0; Caprinic acid; Decoic acid; Decylic acid
Exact Mass	172.1463 (neutral)    Calculate m/z: (Select m/z)[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-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- M(neutral)
Formula	C10H20O2
Category	Fatty Acyls [FA]
Main Class	Fatty Acids and Conjugates [FA01]
Sub Class	Straight chain fatty acids [FA0101]
Abbrev	FA 10:0
LIPIDBANK ID	DFA0010
PubChem CID	2969
KEGG ID	C01571
HMDB ID	HMDB0000511
CHEBI ID	30813
PlantFA ID	10019
SWISSLIPIDS ID	SLM:000000855
InChIKey	GHVNFZFCNZKVNT-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI	InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) Click to highlight InChI
SMILES	CCCCCCCCCC(=O)O Click to highlight SMILES
MS Spectra	View MoNA MS spectra
Status	Active
Calculated physicochemical properties (?):
Heavy Atoms 12 Rings 0 Aromatic Rings 0 Rotatable Bonds 8   van der Waals Molecular Volume 196.50 Topological Polar Surface Area 37.30 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2   logP 3.21 Molar Refractivity 50.25