Structure Database (LMSD)
Common Name
ent-8-epi-8-iso-LGE2
Systematic Name
(11R,15S)-13,14-seco-12,14-dioxo-8S-hydroxy-5Z,9E-prostadienoic acid
Synonyms
- (5Z,8S,9E,11R,12S)-11-acetyl-12-formyl-8-hydroxyheptadeca-5,9-dienoic acid
LM ID
LMFA03100014
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
352.224975
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KESUZKAIGAYGSL-JDYUQSAGSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-3-4-7-10-17(15-21)19(16(2)22)14-13-18(23)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18+,19+/m1/s1
SMILES (Click to copy)
C(CCC/C=C\C[C@H](O)/C=C/[C@@H](C(=O)C)[C@H](CCCCC)C=O)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Isolevuglandin-protein adducts in oxidized low density lipoprotein and human plasma: a strong connection with cardiovascular disease.,
Trends Cardiovasc Med, 2000
Trends Cardiovasc Med, 2000
Pubmed ID:
11150730
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
385.31
Topological Polar Surface Area
91.67
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
3.99
Molar Refractivity
98.77
Admin
Created at
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Updated at
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