Structure Database (LMSD)
Common Name
12-hydroxy-9Z-dodecenoic acid
Systematic Name
12-hydroxy-9Z-dodecenoic acid
Synonyms
3D model of 12-hydroxy-9Z-dodecenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
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
Phytochemistry, 2024
Pubmed ID:
38768880
Other Databases
PubChem CID
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