Structure database (LMSD)

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LM IDLMFA01020022
Common NamePhthioic acid
Systematic Name3,13,19-trimethyl-tricosanoic acid
Synonyms-
Exact Mass
396.3967 (neutral)    Calculate m/z:
FormulaC26H52O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0247
PubChem CID5282606
InChIKeyGDZJBTPONREEGO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H52O2/c1-5-6-17-23(2)19-15-12-16-20-24(3)18-13-10-8-7-9-11-14-21-25(
4)22-26(27)28/h23-25H,5-22H2,1-4H3,(H,27,28)
SMILESC(C(C)CCCCCCCCCC(C)CC(=O)O)CCCCC(C)CCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds21
 van der Waals
Molecular Volume
473.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP9.02Molar
Refractivity
123.91