Structure database (LMSD)

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LM IDLMPR0104010038
Common NameHomophytanic acid
Systematic Name4,8,12,16-tetramethylheptadecanoic acid
Synonyms-
Exact Mass
326.3185 (neutral)    Calculate m/z:
FormulaC21H42O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Acyclic diterpenoids [PR010401]
PubChem Compound ID (CID)-
InChIKeyORMFWDWAJNERRN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H42O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21(22)23/h
17-20H,6-16H2,1-5H3,(H,22,23)
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
386.80Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.93Molar
Refractivity
100.75    
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