Structure database (LMSD)

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LM IDLMFA03010005
Common NamePGA1 (W)
Systematic Name9-oxo-15S-hydroxy-10Z,13E-prostadienoic acid
SynonymsProstaglandin A1; 15a-Hydroxy-9-oxo-10,13E-prostadienoic acid; 15a-Hydroxy-9-
oxo-10,13E-prostadienoate
Exact Mass
336.2301 (neutral)    Calculate m/z:
FormulaC20H32O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
LIPIDBANK IDXPR1000
PubChem CID5281912
KEGG IDC04685
HMDB IDHMDB0002656
CHEBI ID15545
SWISSLIPIDS IDSLM:000390067
CAYMAN ID10010
InChIKeyBGKHCLZFGPIKKU-LDDQNKHRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(2
3)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
SMILESC1C(=O)[C@H](CCCCCCC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)C=1
MS Spectra-     
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
366.80Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.57Molar
Refractivity
96.27