Structure database (LMSD)

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LM IDLMFA01020027
Common NameD-Mycoceranic acid
Systematic Name2,4,6-trimethyl-octacosanoic acid
SynonymsMycocerosic acid; Phthianoic acid
Exact Mass
466.4750 (neutral)    Calculate m/z:
FormulaC31H62O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0252
PubChem CID5282611
InChIKeyYDTQWDHOFAHJMF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C31H62O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-2
8(2)26-29(3)27-30(4)31(32)33/h28-30H,5-27H2,1-4H3,(H,32,33)
SMILESC(CCCCCCCC(C)CC(C)CC(C)C(=O)O)CCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms33Rings0Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
559.80Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP10.97Molar
Refractivity
146.99