Structure database (LMSD)

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LM IDLMFA01010001
Common NamePalmitic acid (W)
Systematic Namehexadecanoic acid
SynonymsCetylic acid; Palmitate; n-Hexadecanoic acid; C16:0
Exact Mass
256.2402 (neutral)    Calculate m/z:
FormulaC16H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0016
PubChem Compound ID (CID)985
METABOLOMICS ID-
KEGG IDC00249
HMDB IDHMDB00220
YMDB ID-
CHEBI ID15756
InChIKeyIPCSVZSSVZVIGE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,1
7,18)
SMILESCCCCCCCCCCCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
300.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.55Molar
Refractivity
77.95    
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