Structure database (LMSD)

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LM IDLMFA03010079
Common Name13,14-dihydro-PGF2α
Systematic Name9S,11R,15S-trihydroxy-5Z-prostenoic acid
Synonyms13,14-dihydro-Prostaglandin F2α
Exact Mass
356.2563 (neutral)    Calculate m/z:
FormulaC20H36O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
AbbrevFA 20:2;O3
LIPIDBANK IDXPR1761
PubChem CID5283080
CHEBI ID88346
CAYMAN ID16660
InChIKeyLLQBSJQTCKVWTD-NFUXFLSFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,15-19,21-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t15-,16+,17+,18-,19+/m0/s1
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SMILES
[C@H]1(CC[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
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MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
380.87Topological Polar
Surface Area
97.99Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP4.13Molar
Refractivity
99.77