LIPID MAPS

Structure Database (LMSD)

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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

Main

Classification

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

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

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