Structure Database (LMSD)

Common Name
Geranylgeranial
Systematic Name
3,7,11,15-tetramethyl-2E,6E,10E,14-hexadecatetraenal
Synonyms
LM ID
LMFA06000197
Formula
C20H32O
Exact Mass
Calculate m/z
288.245316
Sum Composition
FAL 20:4
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]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bombus subterraneus (#163670)
Insecta (#50557)
Marking Pheromones of Megabombus Bumble Bee Males.,
Acta Chem Scand, 1991
Homo sapiens (#9606)
Mammalia (#40674)
Lysosomal prenylcysteine lyase is a FAD-dependent thioether oxidase.,
J Biol Chem, 2001
Pubmed ID: 11078725

String Representations

InChiKey (Click to copy)
AVHRJMXIKKJVHG-QIRCYJPOSA-N
InChi (Click to copy)
InChI=1S/C20H32O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15-16H,6-8,10,12,14H2,1-5H3/b18-11+,19-13+,20-15+
SMILES (Click to copy)
C(/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)(=O)[H]

Other Databases

CHEBI ID
189549
PubChem CID
11781209

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 350.15
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.33
Molar Refractivity 94.47

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Created at
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Updated at
5th Dec 2024