Structure Database (LMSD)

Common Name
9-Hydroxy-6Z-nonenoic acid
Systematic Name
9-Hydroxy-6Z-nonenoic acid
Synonyms
LM ID
LMFA01050601
Formula
C9H16O3
Exact Mass
Calculate m/z
172.109945
Sum Composition
FA 9:1;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
Oleria onega (#304530)
Insecta (#50557)
Chemistry of the Androconial Secretion of the Ithomiine Butterfly Oleria onega.,
J Chem Ecol, 2019
Pubmed ID: 31493166

String Representations

InChiKey (Click to copy)
ZANZRABKHVYZNF-RQOWECAXSA-N
InChi (Click to copy)
InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h2,4,10H,1,3,5-8H2,(H,11,12)/b4-2-
SMILES (Click to copy)
C(CCCC/C=C\CCO)(=O)O

Other Databases

PubChem CID
101775838

Calculated Physicochemical Properties

Heavy Atoms 12
Rings
Aromatic Rings
Rotatable Bonds 7
Van der Waals Molecular Volume 185.35
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.85
Molar Refractivity 47.44

Admin

Created at
7th Mar 2023
Updated at
7th Mar 2023