Structure Database (LMSD)

Common Name
12,15-dihydroxy-9Z,13E-pentadecadienoic acid
Systematic Name
12,15-dihydroxy-9Z,13E-pentadecadienoic acid
Synonyms
LM ID
LMFA01050610
Formula
C15H26O4
Exact Mass
Calculate m/z
270.18311
Sum Composition
FA 15:2;O2
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)
ACOHUXXWHPGCCX-BABZSUFTSA-N
InChi (Click to copy)
InChI=1S/C15H26O4/c16-13-9-11-14(17)10-7-5-3-1-2-4-6-8-12-15(18)19/h5,7,9,11,14,16-17H,1-4,6,8,10,12-13H2,(H,18,19)/b7-5-,11-9+
SMILES (Click to copy)
C(CCCCCCC/C=C\CC(O)/C=C/CO)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 295.30
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 3.23
Molar Refractivity 76.95

Admin

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