Structure Database (LMSD)
Common Name
PGH2
Systematic Name
9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid
Synonyms
- Prostaglandin H2
LM ID
LMFA03010010
Formula
Exact Mass
Calculate m/z
352.224975
Sum Composition
Status
Active
3D model of PGH2
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)
YIBNHAJFJUQSRA-YNNPMVKQSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@@H]2OO[C@@H](C2)[C@@H]1C/C=C\CCCC(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ovis aries
(#9940)
Mammalia
(#40674)
Isolation and structure of two prostaglandin endoperoxides that cause platelet aggregation.,
Proc Natl Acad Sci U S A, 1974
Proc Natl Acad Sci U S A, 1974
Pubmed ID:
4521806
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR1798
PubChem CID
SwissLipids ID
Cayman ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
2
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
365.87
Topological Polar Surface Area
80.13
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
4.88
Molar Refractivity
97.41
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Admin
Created at
-
Updated at
25th Jul 2024