Structure database (LMSD)

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LM IDLMFA01010012
Common NameLauric acid (W)
Systematic Namedodecanoic acid
Synonymsn-Dodecanoic acid; Dodecanoate; Dodecylic acid; C12:0
Exact Mass
200.1776 (neutral)    Calculate m/z:
FormulaC12H24O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0012
PubChem Compound ID (CID)3893
METABOLOMICS ID-
KEGG IDC02679
HMDB IDHMDB00638
YMDB ID-
CHEBI ID30805
InChIKeyPOULHZVOKOAJMA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
SMILESCCCCCCCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
231.10Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.99Molar
Refractivity
59.48    
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