Structure Database (LMSD)

OH O O O OH O
Common Name
PGG2
Systematic Name
9S,11R-epidioxy-15S-hydroperoxy-5Z,13E-prostadienoic acid
Synonyms
  • Prostaglandin G2
LM ID
LMFA03010009
Formula
C20H32O6
Exact Mass
Calculate m/z
368.21989
Sum Composition
FA 20:4;O4
Status
Active
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Main

Classification

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

String Representations

InChiKey (Click to copy)
SGUKUZOVHSFKPH-YNNPMVKQSA-N
InChi (Click to copy)
InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](OO)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
Pubmed ID: 4521806

Other Databases

KEGG ID
C05956
HMDB ID
HMDB0003235
CHEBI ID
27647
LIPIDBANK ID
XPR1601
PubChem CID
5280883
SwissLipids ID
SLM:000389777
PDB ID
PGX
GuidePharm ID
5245

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 2
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 374.66
Topological Polar Surface Area 89.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.55
Molar Refractivity 98.77

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Updated at
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