Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020032
Common Name(+)-C27-Phthienoic acid
Systematic Name2,4,6-trimethyl-2Z-tetracosenoic acid
SynonymsMycolipenic acid
Exact Mass
408.3967 (neutral)    Calculate m/z:
FormulaC27H52O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesUnsaturated fatty acids[FA0103]
LIPIDBANK IDDFA0257
PubChem CID5282613
InChIKeySJZUAPDAKBPNQS-WNAAXNPUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-25(3)
23-26(4)27(28)29/h23-25H,5-22H2,1-4H3,(H,28,29)/b26-23+
SMILESC(CCCCCCCC(C)CC(C)/C=C(\C)/C(=O)O)CCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings0Aromatic Rings0Rotatable Bonds21
 van der Waals
Molecular Volume
487.96Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP9.33Molar
Refractivity
128.50