Structure Database (LMSD)

Common Name
10,13-dihydroxy-9Z,12Z-octadecadienoic acid
Systematic Name
10,13-dihydroxyoctadeca-9Z,12Z-dienoic acid
Synonyms
  • 10,13-dihydroxyoctadeca-9Z,12Z-dienoic acid
LM ID
LMFA02000357
Formula
C18H32O4
Exact Mass
Calculate m/z
312.23006
Sum Composition
FA 18:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mortierella alpina (#64518)
Mortierellomycetes (#2212732)
Polyunsaturated fatty acids production and transformation by Mortierella alpina and anaerobic bacteria,
Eur J Lipid Sci, 2012

String Representations

InChiKey (Click to copy)
UOCYOYPCAPYJLN-VKESVQGDSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h12,14,19-20H,2-11,13,15H2,1H3,(H,21,22)/b16-14+,17-12+
SMILES (Click to copy)
C(/O)(=C\CCCCCCCC(O)=O)\C/C=C(/O)\CCCCC

Other Databases

PubChem CID
171118752

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 347.20
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.66
Molar Refractivity 90.14

Admin

Created at
26th Jun 2019
Updated at
26th Jun 2019