LIPID MAPS

Structure Database (LMSD)

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Common Name

ent_16_RS_9_epi_ST_D14_10_PhytoF

Systematic Name

(S)-9-hydroxy-9-((2R,4S,5R)-4-hydroxy-5-((E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid

Synonyms

LM ID

LMFA02040134

Formula

C₁₈H₃₂O₆

Exact Mass

Calculate m/z

344.219891

Sum Composition

FA 18:2;O4

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View spectra on LIPID MAPS Standard Spectra DB

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Oxylipin standard

String Representations

InChiKey (Click to copy)

ABMOBHDJIUJCNP-PTZPOEMYSA-N

InChi (Click to copy)

InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13?,14-,15-,16+,17+/m0/s1

SMILES (Click to copy)

C(CCCCCCC[C@H](O)[C@]1([H])O[C@]([H])(/C=C/C(O)CC)[C@@H](O)C1)(=O)O

Other Databases

PubChem CID

132576180

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 1

Aromatic Rings

Rotatable Bonds 12

Van der Waals Molecular Volume 355.06

Topological Polar Surface Area 109.29

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 6

logP 3.44

Molar Refractivity 93.24

Admin

Created at

9th May 2025

Updated at