Structure Database (LMSD)

H O
Common Name
2E-Phytenal
Systematic Name
3,7,11,15-tetramethyl-2E-hexadecenal
Synonyms
LM ID
LMPR0104010025
Formula
C20H38O
Exact Mass
Calculate m/z
294.292265
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)
RAFZYSUICBQABU-HMMYKYKNSA-N
InChi (Click to copy)
InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+
SMILES (Click to copy)
C(/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)(=O)[H]

References

Other Databases

HMDB ID
HMDB0035654
CHEBI ID
169088
PubChem CID
14035234

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 358.07
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.57
Molar Refractivity 94.54

Admin

Created at
-
Updated at
-