Structure Database (LMSD)

Common Name
6-hydroxytrideca-7,8-dien-10,12-diynoic acid
Systematic Name
6-hydroxytriadeca-7,8-dien-10,12-diynoic acid
Synonyms
  • 07F275
LM ID
LMFA01031140
Formula
C13H14O3
Exact Mass
Calculate m/z
218.094295
Sum Composition
FA 14:6;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
unclassified Fungi (#89443)
Biosynthesis and function of polyacetylenes and allied natural products.,
Prog Lipid Res, 2008
Pubmed ID: 18387369

String Representations

InChiKey (Click to copy)
WVRANUKWDFBAOQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H14O3/c1-2-3-4-5-6-9-12(14)10-7-8-11-13(15)16/h1,5,9,12,14H,7-8,10-11H2,(H,15,16)
SMILES (Click to copy)
C(=C=CC(O)CCCCC(O)=O)C#CC#C

Other Databases

PubChem CID
134812105

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 241.35
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.63
Molar Refractivity 61.88

Admin

Created at
-
Updated at
22nd Mar 2022