LIPID MAPS

Structure Database (LMSD)

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Common Name

11-oxo-12,13-EpOME

Systematic Name

11-oxo-(12,13)-epoxy-(9Z)-octadecenoic acid

Synonyms

LM ID

LMFA02000404

Formula

C₁₈H₃₀O₄

Exact Mass

Calculate m/z

310.21441

Sum Composition

FA 18:3;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Rattus norvegicus (#10116)

Mammalia (#40674)

A systems approach for discovering linoleic acid derivatives that potentially mediate pain and itch.,
Sci Signal, 2017

Pubmed ID: 28831021

String Representations

InChiKey (Click to copy)

RDGAFGWICQNYLG-BENRWUELSA-N

InChi (Click to copy)

InChI=1S/C18H30O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,16,18H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10-

SMILES (Click to copy)

C(CCCCCCC/C=C\C(=O)C1OC1CCCCC)(=O)O

Other Databases

PubChem CID

137399221

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 1

Aromatic Rings 0

Rotatable Bonds 14

Van der Waals Molecular Volume 334.84

Topological Polar Surface Area 66.90

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 4.85

Molar Refractivity 87.93

Admin

Created at

31st Jan 2023

Updated at