Structure Database (LMSD)

Common Name
Farnesylic acid
Systematic Name
3,7,11-trimethyl-dodecanoic acid
Synonyms
  • Dodecanoic acid, 3,7,11-trimethyl-
  • 3,7,11-Trimethyldodecanoic acid
  • Farnesanoic acid
  • Farnesylic acid, hexahydro-
LM ID
LMFA01020248
Formula
C15H30O2
Exact Mass
Calculate m/z
242.22458
Sum Composition
FA 15:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
XXCXRVNSUQAYMM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h12-14H,5-11H2,1-4H3,(H,16,17)
SMILES (Click to copy)
C(CC(C)CCCC(C)CCCC(C)C)(=O)O

Other Databases

LIPIDAT ID
1668
CHEBI ID
196024
PubChem CID
192736

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 283.00
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.73
Molar Refractivity 73.12

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Created at
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Updated at
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