Structure Database (LMSD)

Common Name
12-hydroxy-9Z-dodecenoic acid
Systematic Name
12-hydroxy-9Z-dodecenoic acid
Synonyms
LM ID
LMFA01050608
Formula
Exact Mass
Calculate m/z
214.156895
Sum Composition
Status
Active

Main

Classification

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
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