Structure Database (LMSD)

Common Name
15-epi-F1t-dihomo-PhytoP-DGLA
Systematic Name
9S,11R,15R-trihydroxy-13E-prostaenoic acid-cyclo[8S,12R]
Synonyms
LM ID
LMFA03110367
Formula
Exact Mass
Calculate m/z
356.256276
Sum Composition
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Straightforward Syntheses of Phytoprostanes and Dihomophytoprostanes-Non-enzymatic Metabolites of γ-Linolenic, Dihomo-γ-linolenic and Stearidonic Acids,
Eur JOC, 2022

String Representations

InChiKey (Click to copy)
DZUXGQBLFALXCR-YNCSFSAFSA-N
InChi (Click to copy)
InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17-,18+,19-/m1/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@H](O)CCCCC)[C@H](O)C[C@H](O)[C@H]1CCCCCCC(=O)O

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings
Rotatable Bonds 13
Van der Waals Molecular Volume 380.87
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.13
Molar Refractivity 99.77

Admin

Created at
3rd Mar 2026
Updated at
3rd Mar 2026