Structure Database (LMSD)
Common Name
PGA1
Systematic Name
9-oxo-15S-hydroxy-10Z,13E-prostadienoic acid
Synonyms
- Prostaglandin A1
- 15a-Hydroxy-9-oxo-10,13E-prostadienoic acid
- 15a-Hydroxy-9-oxo-10,13E-prostadienoate
LM ID
LMFA03010005
Formula
Exact Mass
Calculate m/z
336.23006
Sum Composition
Status
Active
3D model of PGA1
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)
BGKHCLZFGPIKKU-LDDQNKHRSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
SMILES (Click to copy)
C1C(=O)[C@H](CCCCCCC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)C=1
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR1000
PubChem CID
SwissLipids ID
Cayman ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
366.80
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.57
Molar Refractivity
96.27
Admin
Created at
-
Updated at
-