Structure database (LMSD)

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LM IDLMFA03010087
Common NamePGI2 (W)
Systematic Name6,9S-epoxy-11R,15S-dihydoxy-5Z,13E-prostadienoic acid
SynonymsProstaglandin I2; Prostacyclin
Exact Mass
352.2250 (neutral)    Calculate m/z:
FormulaC20H32O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
LIPIDBANK IDXPR1801
PubChem CID5282411
KEGG IDC01312
HMDB IDHMDB0001335
CHEBI ID15552
SWISSLIPIDS IDSLM:000390040
InChIKeyKAQKFAOMNZTLHT-OZUDYXHBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)1
3-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t1
4-,16+,17+,18+,19-/m0/s1
SMILES[C@@H]1(O)C[C@@H]2O/C(=C\CCCC(=O)O)/C[C@@H]2[C@H]1/C=C/[C@@H](O)CCCCC
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings2Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
365.87Topological Polar
Surface Area
89.06Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP4.27Molar
Refractivity
97.49