Structure database (LMSD)

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LM IDLMFA01010025
Common NameHyenic acid
Systematic NamePentacosanoic acid
SynonymsC25:0
Exact Mass
382.3811 (neutral)    Calculate m/z:
FormulaC25H50O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0025
PubChem CID10468
HMDB IDHMDB0002361
CHEBI ID39420
PlantFA ID10403
CAYMAN ID15197
InChIKeyMWMPEAHGUXCSMY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-2
4-25(26)27/h2-24H2,1H3,(H,26,27)
SMILESC(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCC
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
456.00Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP9.06Molar
Refractivity
119.50