Structure Database (LMSD)

O O OH O OH
Common Name
PGH1
Systematic Name
9S,11R-epidioxy-15S-hydroxy-13E-prostaenoic acid
Synonyms
  • Prostaglandin H1
LM ID
LMFA03010044
Formula
C20H34O5
Exact Mass
Calculate m/z
354.240625
Sum Composition
FA 20:3;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)
NTAYABHEVAQSJS-CDIPTNKSSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/b13-12+/t15-,16+,17+,18-,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@@H]2OO[C@@H](C2)[C@@H]1CCCCCCC(=O)O

References

Other Databases

CHEBI ID
91133
LIPIDBANK ID
XPR1724
PubChem CID
5283048
SwissLipids ID
SLM:000501235

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 2
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 368.51
Topological Polar Surface Area 80.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 5.10
Molar Refractivity 97.51

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Created at
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Updated at
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