Structure Database (LMSD)
Common Name
PGG2
Systematic Name
9S,11R-epidioxy-15S-hydroperoxy-5Z,13E-prostadienoic acid
Synonyms
- Prostaglandin G2
LM ID
LMFA03010009
Formula
Exact Mass
Calculate m/z
368.21989
Sum Composition
Status
Active
3D model of PGG2
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)
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
Proc Natl Acad Sci U S A, 1974
Pubmed ID:
4521806
Other Databases
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR1601
PubChem CID
SwissLipids ID
PDB ID
GuidePharm ID
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
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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Updated at
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