Structure database (LMSD)

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LM IDLMFA01010039
Common Name-
Systematic Namehexatetracontanoic acid
SynonymsC46:0
Exact Mass
676.7097 (neutral)    Calculate m/z:
FormulaC46H92O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0039
PubChem Compound ID (CID)5282599
InChIKeyPLPABYLKGGTKBQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C46H92O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-2
4-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46(47)48/h2-45H
2,1H3,(H,47,48)
SMILESC(CCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCCCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms48Rings0Aromatic Rings0Rotatable Bonds44
 van der Waals
Molecular Volume
819.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP17.26Molar
Refractivity
216.46