LIPID MAPS

Structure Database (LMSD)

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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

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

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

References

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

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