Structure Database (LMSD)
Common Name
13,14-dihydro-15-keto-PGE2
Systematic Name
9,15-dioxo-11R-hydroxy-5Z-prostenoic acid
Synonyms
- 13,14-dihydro-15-keto-Prostaglandin E2
LM ID
LMFA03010031
Formula
Exact Mass
Calculate m/z
352.224975
Sum Composition
Status
Active
3D model of 13,14-dihydro-15-keto-PGE2
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)
CUJMXIQZWPZMNQ-XYYGWQPLSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC)[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
Other Databases
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR1712
PubChem CID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
375.59
Topological Polar Surface Area
91.67
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
3.97
Molar Refractivity
96.75
Admin
Created at
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Updated at
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