Structure database (LMSD)

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LM IDLMFA01010038
Common Name-
Systematic Nameoctatriacontanoic acid
SynonymsC38:0
Exact Mass
564.5845 (neutral)    Calculate m/z:
FormulaC38H76O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0038
PubChem Compound ID (CID)5282598
InChIKeyAJQRZOBUACOSBG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C38H76O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-2
4-25-26-27-28-29-30-31-32-33-34-35-36-37-38(39)40/h2-37H2,1H3,(H,39,40)
SMILESC(CCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms40Rings0Aromatic Rings0Rotatable Bonds36
 van der Waals
Molecular Volume
680.90Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP14.13Molar
Refractivity
179.52