Structure database (LMSD)

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LM IDLMFA01170022
Common NameThapsic acid
Systematic NameHexadecanedioic acid
SynonymsThaspic acid
Exact Mass
286.2144 (neutral)    Calculate m/z:
FormulaC16H30O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID1814
PubChem CID10459
KEGG IDC08260
HMDB IDHMDB0000672
PlantFA ID10245
SWISSLIPIDS IDSLM:000000718
InChIKeyQQHJDPROMQRDLA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H
,17,18)(H,19,20)
SMILESC(CCCCCCCCCCCCCCC(=O)O)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
315.24Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.62Molar
Refractivity
79.91