LIPID MAPS

Structure Database (LMSD)

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Common Name

12-OxoOME(9Z)

Systematic Name

12-oxo-9Z-octadecenoic acid

Synonyms

12-Keto-oleic acid
9(Z)-12-oxo-OME

LM ID

LMFA02000268

Formula

C₁₈H₃₂O₃

Exact Mass

Calculate m/z

296.235145

Sum Composition

FA 18:2;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

QHEOVCWNVASAFS-XFXZXTDPSA-N

InChi (Click to copy)

InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-

SMILES (Click to copy)

C(CCCCCCC/C=C\CC(=O)CCCCCC)(=O)O

Other Databases

LIPIDAT ID

6012

PubChem CID

5312913

PlantFA ID

10571

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 0

Aromatic Rings 0

Rotatable Bonds 15

Van der Waals Molecular Volume 338.41

Topological Polar Surface Area 54.37

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 5.29

Molar Refractivity 87.48

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Created at

Updated at

18th Nov 2024