Structure Database (LMSD)

Common Name
12-hydroxy-9Z-dodecenoic acid
Systematic Name
12-hydroxy-9Z-dodecenoic acid
Synonyms
LM ID
LMFA01050608
Formula
C12H22O3
Exact Mass
Calculate m/z
214.156895
Sum Composition
FA 12:1;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)
AWMQDOYIFAMZEM-ALCCZGGFSA-N
InChi (Click to copy)
InChI=1S/C12H22O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,13H,1-4,6,8-11H2,(H,14,15)/b7-5-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCO)(=O)O

Other Databases

PubChem CID
10976824

Calculated Physicochemical Properties

Heavy Atoms 15
Rings
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 237.25
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.03
Molar Refractivity 61.29

Admin

Created at
3rd Jun 2024
Updated at
3rd Jun 2024