Structure Database (LMSD)

Common Name
18-oxo-nonadecanoic acid
Systematic Name
18-oxo-nonadecanoic acid
Synonyms
LM ID
LMFA01060129
Formula
C19H36O3
Exact Mass
Calculate m/z
312.266445
Sum Composition
FA 19:1;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]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
ZNFQHZMNVKPFIZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H36O3/c1-18(20)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19(21)22/h2-17H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCC(=O)C)(=O)O

Other Databases

LIPIDAT ID
2238
CHEBI ID
165429
PubChem CID
5312917

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 358.35
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.90
Molar Refractivity 92.19

Admin

Created at
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Updated at
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