Structure Database (LMSD)

Common Name
(2-trans,6-trans)-farnesal
Systematic Name
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal
Synonyms
  • (2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trienal
  • (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienal
  • (2E,6E)-farnesal
  • (E,E)-3,7,11-trimethyl-2,6,10-dodecatrienal
  • 2-trans,6-trans-Farnesal
  • 2-trans,6-trans-farnesal
  • E,E-farnesal
  • trans,trans-2,6-farnesal
  • trans-farnesal
LM ID
LMPR0103010012
Formula
C15H24O
Exact Mass
Calculate m/z
220.182715
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Acyclic farnesane sesquiterpenoids [PR010301]

String Representations

InChiKey (Click to copy)
YHRUHBBTQZKMEX-YFVJMOTDSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+
SMILES (Click to copy)
C(=C(/C)\CC/C=C(\C)/CC/C=C(\C)/C)/C=O

Other Databases

KEGG ID
C03461
HMDB ID
HMDB0060356
CHEBI ID
15894
PubChem CID
5280598

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 266.29
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.60
Molar Refractivity 71.48

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Created at
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Updated at
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