Structure Database (LMSD)

Common Name
Geranylgeranyl acetate
Systematic Name
3,7,11,15-Tetramethyl-2E,6E,10E,14-hexadecatetraenyl acetate
Synonyms
LM ID
LMFA07010351
Formula
C22H36O2
Exact Mass
Calculate m/z
332.27153
Sum Composition
SFE 22:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Acyclic diterpenoids [PR010401]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ericaria crinita (#590114)
Phaeophyceae (#2870)
A geranylacetone derivative from the brown alga Cystoseira crinita,
Phytochemistry, 1980
Bombus pascuorum (#65598)
Insecta (#50557)
Volatile components of the cephalic marking secretion of male bumble bees.,
Acta Chem Scand, 1970
Pubmed ID: 5507234

String Representations

InChiKey (Click to copy)
NHYSRKKHKHCRGR-RFRQLJORSA-N
InChi (Click to copy)
InChI=1S/C22H36O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h10,12,14,16H,7-9,11,13,15,17H2,1-6H3/b19-12+,20-14+,21-16+
SMILES (Click to copy)
O(C(=O)C)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

PubChem CID
5366012

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 393.54
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.98
Molar Refractivity 105.53

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Created at
-
Updated at
3rd Dec 2024