Structure database (LMSD)

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LM IDLMFA03010068
Common Name11-deoxy-PGF1a
Systematic Name9S,15S-dihydroxy-13E-prostaenoic acid
Synonyms11-deoxy-Prostaglandin F1a
Exact Mass
340.2614 (neutral)    Calculate m/z:
FormulaC20H36O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
AbbrevFA 20:2;O2
LIPIDBANK IDXPR1750
PubChem CID5283069
CAYMAN ID15512
InChIKeyHYBPXYQCXNOTFK-DUSCRHDRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H36O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+,19-/m0/s1
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SMILES
[C@H]1(/C=C/[C@@H](O)CCCCC)CC[C@H](O)[C@@H]1CCCCCCC(=O)O
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MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
372.08Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP4.87Molar
Refractivity
97.87