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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03010010
Common NamePGH2 (W)
Systematic Name9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid
SynonymsProstaglandin H2
Exact Mass
352.2250 (neutral)    Calculate m/z:
FormulaC20H32O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
AbbrevFA 20:4;O3
LIPIDBANK IDXPR1798
PubChem CID445049
KEGG IDC00427
HMDB IDHMDB0001381
CHEBI ID15554
SWISSLIPIDS IDSLM:000000426
InChIKeyYIBNHAJFJUQSRA-YNNPMVKQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O5/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/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
Click to highlight InChI
SMILES
[C@H]1(/C=C/[C@@H](O)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 Atoms25Rings2Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
365.87Topological Polar
Surface Area
80.13Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
5
 logP4.88Molar
Refractivity
97.41