Structure Database (LMSD)

Common Name
15-hydroxy-9Z,12Z-pentadecadienoic acid
Systematic Name
15-hydroxy-9Z,12Z-pentadecadienoic acid
Synonyms
LM ID
LMFA01050609
Formula
C15H26O3
Exact Mass
Calculate m/z
254.188195
Sum Composition
FA 15:2;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]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cucumis sativus (#3659)
Magnoliopsida (#3398)
Oxylipin biosynthesis via an unprecedented 16-hydroperoxide lyase pathway in green tissues of cucumber (Cucumis sativus L.) plants.,
Phytochemistry, 2024
Pubmed ID: 38768880

String Representations

InChiKey (Click to copy)
ONMBZNVMNBTBBN-VBFFHFTGSA-N
InChi (Click to copy)
InChI=1S/C15H26O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h2,4,8,10,16H,1,3,5-7,9,11-14H2,(H,17,18)/b4-2-,10-8-
SMILES (Click to copy)
C(CCCCCCC/C=C\C/C=C\CCO)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 18
Rings
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 286.51
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.97
Molar Refractivity 75.04

Admin

Created at
4th Jun 2024
Updated at
4th Jun 2024