Structure database (LMSD)

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LM IDLMPR0104010011
Common Name2-hydroxyphytanic acid
Systematic Name2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid
Synonymsα-Hydroxyphytanic acid
Exact Mass
328.2977 (neutral)    Calculate m/z:
FormulaC20H40O3
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Acyclic diterpenoids [PR010401]
PubChem CID189026
HMDB IDHMDB0061666
CHEBI ID37258
InChIKeyCGKMKXBKVBXUGK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)
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SMILES
C(CCC(C)CCCC(C)CCCC(C)C)C(C)C(O)C(O)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
378.29Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.79Molar
Refractivity
98.04