Structure Database (LMSD)

Common Name
PGH2
Systematic Name
9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid
Synonyms
  • Prostaglandin H2
LM ID
LMFA03010010
Formula
C20H32O5
Exact Mass
Calculate m/z
352.224975
Sum Composition
FA 20:4;O3
Status
Active
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

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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Reactions graph legend

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
Pubmed ID: 4521806

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

Other Databases

Wikipedia
Prostaglandin_H2
KEGG ID
C00427
HMDB ID
HMDB0001381
CHEBI ID
15554
LIPIDBANK ID
XPR1798
PubChem CID
445049
SwissLipids ID
SLM:000000426
Cayman ID
17020
GuidePharm ID
4483

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

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Created at
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Updated at
25th Jul 2024