Structure Database (LMSD)

O OH O
Common Name
Furanoid acid - F6
Systematic Name
12,15-epoxy-13,14-dimethyl-12,14-eicosadienoic acid
Synonyms
  • 11-(3,4-dimethyl-5-pentylfuran-2-yl)-undecanoic acid
LM ID
LMFA01150002
Formula
C22H38O3
Exact Mass
Calculate m/z
350.282095
Sum Composition
FA 22:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Heterocyclic fatty acids [FA0115]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
MCTXSZNBSIMKTO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H38O3/c1-4-5-12-15-20-18(2)19(3)21(25-20)16-13-10-8-6-7-9-11-14-17-22(23)24/h4-17H2,1-3H3,(H,23,24)
SMILES (Click to copy)
C(O)(=O)CCCCCCCCCCC1OC(CCCCC)=C(C)C=1C

References

Other Databases

HMDB ID
HMDB0031126
CHEBI ID
172575
PubChem CID
13963867

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 1
Rotatable Bonds 15
Van der Waals Molecular Volume 384.35
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.77
Molar Refractivity 104.30

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Updated at
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