LIPID MAPS

Structure Database (LMSD)

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Systematic Name

12-oxo-8E,10E-heptadecadienoic acid

Synonyms

12o-17:2

LM ID

LMFA01060259

Formula

C₁₇H₂₈O₃

Exact Mass

Calculate m/z

280.203846

Sum Composition

FA 17:3;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Bos taurus (#9913)

Mammalia (#40674)

Formation of trihydroxyheptadecenoic acids, monohydroxyicosatrienoic acids, and prostaglandins from 8,11,14-icosatrienoic acid by adult and fetal aorta.,
J Biol Chem, 1982

Pubmed ID: 7202002

String Representations

InChiKey (Click to copy)

KQKLHUVQQRNYCV-SIGMCMEVSA-N

InChi (Click to copy)

InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h6,8,11,14H,2-5,7,9-10,12-13,15H2,1H3,(H,19,20)/b8-6+,14-11+

SMILES (Click to copy)

C(CCCCCC/C=C/C=C/C(=O)CCCCC)(=O)O

Other Databases

PubChem CID

6439673

Calculated Physicochemical Properties

Heavy Atoms 20

Rings

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 318.47

Topological Polar Surface Area 54.37

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 4.67

Molar Refractivity 82.77

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Created at

19th Aug 2025

Updated at