Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03010044
Common NamePGH1
Systematic Name9S,11R-epidioxy-15S-hydroxy-13E-prostaenoic acid
SynonymsProstaglandin H1
Exact Mass
354.2406 (neutral)    Calculate m/z:
FormulaC20H34O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
LIPIDBANK IDXPR1724
PubChem CID5283048
SWISSLIPIDS IDSLM:000501235
InChIKeyNTAYABHEVAQSJS-CDIPTNKSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-1
1-20(22)23/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/b13-12+/t15-,16+,17+,18-,19+
/m0/s1
SMILES[C@H]1(/C=C/[C@@H](O)CCCCC)[C@@H]2OO[C@@H](C2)[C@@H]1CCCCCCC(=O)O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings2Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
368.51Topological Polar
Surface Area
80.13Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
5
 logP5.10Molar
Refractivity
97.51