Structure Database (LMSD)

O OH HO O
Common Name
PGC1
Systematic Name
9-oxo-15S-hydroxy-11Z,13E-prostadienoic acid
Synonyms
  • Prostaglandin C1
LM ID
LMFA03010160
Formula
C20H32O4
Exact Mass
Calculate m/z
336.23006
Sum Composition
FA 20:4;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

String Representations

InChiKey (Click to copy)
PUIBPGHAXSCVRF-QHFGJBOXSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-14,17-18,21H,2-11,15H2,1H3,(H,23,24)/b14-12+/t17-,18+/m0/s1
SMILES (Click to copy)
[C@H]1(CCCCCCC(=O)O)C(=O)CC=C1/C=C/[C@@H](O)CCCCC

References

Other Databases

KEGG ID
C04686
HMDB ID
HMDB0060104
CHEBI ID
15546
PubChem CID
5280715

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 366.80
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.71
Molar Refractivity 96.34

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Created at
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Updated at
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