LIPID MAPS

Structure Database (LMSD)

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Common Name

C21-15-F2t-IsoP

Systematic Name

(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxynon-1-enyl]cyclopentyl]hept-5-enoic acid

Synonyms

LM ID

LMFA03110365

Formula

C₂₁H₃₆O₅

Exact Mass

Calculate m/z

368.256276

Sum Composition

FA 21:3;O3

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)

DCUNJBXEOMAGOW-UOPBBOGVSA-N

InChi (Click to copy)

InChI=1S/C21H36O5/c1-2-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26/h5,8,13-14,16-20,22-24H,2-4,6-7,9-12,15H2,1H3,(H,25,26)/b8-5-,14-13+/t16-,17-,18+,19-,20+/m0/s1

SMILES (Click to copy)

C([C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCCC)/C=C\CCCC(O)=O

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 395.53

Topological Polar Surface Area 97.99

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 5

logP 4.29

Molar Refractivity 104.30

Admin

Created at

27th May 2025

Updated at