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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03010009
Common NamePGG2
Systematic Name9S,11R-epidioxy-15S-hydroperoxy-5Z,13E-prostadienoic acid
SynonymsProstaglandin G2
Exact Mass
368.2199 (neutral)    Calculate m/z:
FormulaC20H32O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
AbbrevFA 20:4;O4
LIPIDBANK IDXPR1601
PubChem CID5280883
KEGG IDC05956
HMDB IDHMDB0003235
CHEBI ID27647
SWISSLIPIDS IDSLM:000389777
InChIKeySGUKUZOVHSFKPH-YNNPMVKQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
Click to highlight InChI
SMILES
[C@H]1(/C=C/[C@@H](OO)CCCCC)[C@@H]2OO[C@@H](C2)[C@@H]1C/C=C\CCCC(=O)O
Click to highlight SMILES
Ion mobilityView Ion mobility data
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings2Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
374.66Topological Polar
Surface Area
89.36Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
6
 logP5.55Molar
Refractivity
98.77