Structure Database (LMSD)

O O OH O HO
Common Name
13,14-dihydro-15-keto-PGD2
Systematic Name
11,15-dioxo-9S-hydroxy-5Z-prostenoic acid
Synonyms
  • 13,14-dihydro-15-keto-Prostaglandin D2
  • dhk-PGD2
LM ID
LMFA03010022
Formula
C20H32O5
Exact Mass
Calculate m/z
352.224975
Sum Composition
FA 20:4;O3
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)
VSRXYLYXIXYEST-KZTWKYQFSA-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/h4,7,16-18,22H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC)C(=O)C[C@H](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
Pubmed ID: 20671299

Other Databases

HMDB ID
HMDB0060042
CHEBI ID
72603
LIPIDBANK ID
XPR1704
PubChem CID
5283036
Cayman ID
12610
GuidePharm ID
1900

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

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Updated at
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