Structure Database (LMSD)

Systematic Name
10,11,12-trihydroxy-8Z-heptadecenoic acid
Synonyms
LM ID
LMFA01050615
Formula
C17H32O5
Exact Mass
Calculate m/z
316.224976
Sum Composition
FA 17:1;O3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bos taurus (#9913)
Mammalia (#40674)
Formation of trihydroxyheptadecenoic acids, monohydroxyicosatrienoic acids, and prostaglandins from 8,11,14-icosatrienoic acid by adult and fetal aorta.,
J Biol Chem, 1982
Pubmed ID: 7202002

String Representations

InChiKey (Click to copy)
NJYSPAZGQGWYEA-XFXZXTDPSA-N
InChi (Click to copy)
InChI=1S/C17H32O5/c1-2-3-8-11-14(18)17(22)15(19)12-9-6-4-5-7-10-13-16(20)21/h9,12,14-15,17-19,22H,2-8,10-11,13H2,1H3,(H,20,21)/b12-9-
SMILES (Click to copy)
C(CCCCCC/C=C\C(O)C(O)C(O)CCCCC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 22
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 341.33
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.49
Molar Refractivity 88.18

Admin

Created at
19th Aug 2025
Updated at
22nd Aug 2025