Structure Database (LMSD)

Common Name
2-oxophytanic acid
Systematic Name
3,7,11,15-tetramethyl-2-oxohexadecanoic acid
Synonyms
  • 2-Oxophytanate
  • 2-oxophytanic acid
LM ID
LMPR0104010016
Formula
C20H38O3
Exact Mass
Calculate m/z
326.282095
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
CQJGVSCAFSXDSB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H38O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-18H,6-14H2,1-5H3,(H,22,23)
SMILES (Click to copy)
C(=O)(O)C(=O)C(C)CCCC(C)CCCC(C)CCCC(C)C

Other Databases

KEGG ID
C02117
CHEBI ID
18168
PubChem CID
3082203

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 375.65
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.72
Molar Refractivity 96.53

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Created at
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Updated at
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