Structure Database (LMSD)

Common Name
8-iso-15-keto-PGF2alpha
Systematic Name
9S,11R-dihydroxy-15-oxo-5Z,13E-prostadienoic acid-cyclo[8S,12R]
Synonyms
LM ID
LMFA03110005
Status
Active
Exact Mass
Calculate m/z
352.224975
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LOLJEILMPWPILA-RLXHZABYSA-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/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,18-,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/C(=O)CCCCC)[C@H](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
XPR1790
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 375.59
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.82
Molar Refractivity 98.17

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Created at
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Updated at
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