Structure Database (LMSD)

Common Name
8-isoPGF2alpha-d4
Systematic Name
9α,11α,15S-trihydroxy-(8β)-prosta-5Z,13E-dien-1-oic-3,3,4,4-d4 acid
Synonyms
  • 9S,11R,15S-trihydroxy-5Z,8-iso Prostaglandin F2alpha-d4
  • 13E-prostadienoic acid-cyclo[8S,12R]-d4
  • iPF2alpha-III-d4
  • 8-Isoprostane-d4
  • 15-F2t-Isoprostane-d4
  • 8-epi PGF2alpha-d4
LM ID
LMFA03110353
Formula
C20H30D4O5
Exact Mass
Calculate m/z
358.265733
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Isoprostanes [FA0311]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthetic deuterated standard

String Representations

InChiKey (Click to copy)
PXGPLTODNUVGFL-FLRLWOSLSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1/i5D2,8D2
SMILES (Click to copy)
C([C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC)/C=C\C([2H])([2H])C([2H])([2H])CC(O)=O

Other Databases

PubChem CID
90471027
Cayman ID
316350

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 378.23
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.90
Molar Refractivity 99.68

Admin

Created at
3rd Dec 2024
Updated at
5th Dec 2024