Structure Database (LMSD)

Common Name
6-hydroxy-nonanoic acid
Systematic Name
6-hydroxy-nonanoic acid
Synonyms
LM ID
LMFA01050230
Formula
C9H18O3
Exact Mass
Calculate m/z
174.125595
Sum Composition
FA 9:0;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]

String Representations

InChiKey (Click to copy)
USHAAPGWFOVBJE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O3/c1-2-5-8(10)6-3-4-7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
SMILES (Click to copy)
C(CCCCC(O)CCC)(=O)O

Other Databases

LIPIDAT ID
4777
CHEBI ID
180199
PubChem CID
5312791

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 187.99
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.08
Molar Refractivity 47.53

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Created at
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Updated at
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