Structure Database (LMSD)

Common Name
9-hydroxy-5Z-nonenoic acid
Systematic Name
9-hydroxy-5Z-nonenoic acid
Synonyms
LM ID
LMFA01050232
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]

String Representations

InChiKey (Click to copy)
WPQRIXDVEGLWLV-UPHRSURJSA-N
InChi (Click to copy)
InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h1-2,10H,3-8H2,(H,11,12)/b2-1-
SMILES (Click to copy)
C(CCC/C=C\CCCO)(=O)O

Other Databases

LIPIDAT ID
4786
CHEBI ID
165419
PubChem CID
5312793

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
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
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Updated at
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