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

Classification

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

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