Structure Database (LMSD)

Common Name
Dendrotrifidic acid
Systematic Name
16R-hydroxy-octadeca-9Z,17-diene-12,14-diynoic acid
Synonyms
  • (9Z,16R)-16-hydroxyoctadeca-9,17-diene-12,14-diynoic acid
LM ID
LMFA01031034
Formula
C18H24O3
Exact Mass
Calculate m/z
288.172545
Sum Composition
FA 18:6;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dendropanax trifidus (#96665)
Magnoliopsida (#3398)
Synthesis of (±)-Dendrotrifidiol and Its Naturally Occurring Analogs,
Agric. BioI. Chem., 1977

String Representations

InChiKey (Click to copy)
HQHIHSWDBHBMOJ-MAVJXHJTSA-N
InChi (Click to copy)
InChI=1S/C18H24O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h2-3,5,17,19H,1,4,6-8,10,12,14,16H2,(H,20,21)/b5-3-/t17-/m1/s1
SMILES (Click to copy)
C(CCCCCCC/C=C\CC#CC#C[C@H](O)C=C)(=O)O

Other Databases

PubChem CID
129695685

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 327.85
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.59
Molar Refractivity 85.98

Admin

Created at
-
Updated at
-