Structure Database (LMSD)

Common Name
6-keto PGE1
Systematic Name
6,9-dioxo-11R,15S-dihydroxy-13E-prostenoic acid
Synonyms
  • 6-keto Prostaglandin E1
LM ID
LMFA03010012
Formula
C20H32O6
Exact Mass
Calculate m/z
368.21989
Sum Composition
FA 20:4;O4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
ROUDCKODIMKLNO-CTBSXBMHSA-N
InChi (Click to copy)
InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-18,21,23H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)O

Other Databases

KEGG ID
C05962
HMDB ID
HMDB0004241
CHEBI ID
28269
LIPIDBANK ID
XPR1430
PubChem CID
5280889
Cayman ID
13260

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 384.38
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.23
Molar Refractivity 98.65

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Created at
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Updated at
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