Structure Database (LMSD)

OH OH O
Common Name
2-hydroxyphytanic acid
Systematic Name
2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid
Synonyms
  • alpha-Hydroxyphytanic acid
LM ID
LMPR0104010011
Formula
C20H40O3
Exact Mass
Calculate m/z
328.297745
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Acyclic diterpenoids [PR010401]

String Representations

InChiKey (Click to copy)
CGKMKXBKVBXUGK-UHFFFAOYSA-N
InChi (Click to copy)
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)
SMILES (Click to copy)
C(CCC(C)CCCC(C)CCCC(C)C)C(C)C(O)C(O)=O

References

Other Databases

HMDB ID
HMDB0061666
CHEBI ID
37258
PubChem CID
189026

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 378.29
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.79
Molar Refractivity 98.04

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Created at
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Updated at
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