LIPID MAPS

Structure Database (LMSD)

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Common Name

15,16-EpODE

Systematic Name

15,16-epoxy-13-OH-9Z,11E-octadecadienoic acid

Synonyms

LM ID

LMFA02000030

Formula

C₁₈H₃₀O₄

Exact Mass

Calculate m/z

310.21441

Sum Composition

FA 18:3;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

OAFZOWOHMXJGNM-DEOFSOSHSA-N

InChi (Click to copy)

InChI=1S/C18H30O4/c1-2-16-17(22-16)14-15(19)12-10-8-6-4-3-5-7-9-11-13-18(20)21/h6,8,10,12,15-17,19H,2-5,7,9,11,13-14H2,1H3,(H,20,21)/b8-6-,12-10+

SMILES (Click to copy)

C(CCCCCCC/C=C\C=C\C(O)CC1OC1CC)(=O)O

References

Other Databases

PubChem CID

16061056

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 1

Aromatic Rings 0

Rotatable Bonds 13

Van der Waals Molecular Volume 334.84

Topological Polar Surface Area 70.06

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 4.70

Molar Refractivity 89.35

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