Structure Database (LMSD)
Common Name
8-isoPGF2alpha
Systematic Name
9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]
Synonyms
- (9S,11R,15S)-15-F2-IsoP[8S,12R]
- 15-F2t-IsoP
- 8-iso Prostaglandin F2alpha
LM ID
LMFA03110001
Formula
Exact Mass
Calculate m/z
354.240625
Sum Composition
Status
Active (generated by computational methods)
3D model of 8-isoPGF2alpha
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
PXGPLTODNUVGFL-NAPLMKITSA-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
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\CCCC(O)=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
Other Databases
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR1788
PubChem CID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
0
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
-
Updated at
10th Jan 2024