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RPG

Summary
Name:(13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid
Synonyms:PROSTAGLANDIN A1 (PGA1)
Formula:C20 H32 O4
Formal charge:0
Formula weight:336.466 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.67-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]heptanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=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(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
InChIKeyInChI1.03BGKHCLZFGPIKKU-LDDQNKHRSA-N
SMILES_CANONICALCACTVS3.385CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O
SMILESCACTVS3.385CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CCCCCCC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O
SMILESOpenEye OEToolkits2.0.6CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O

218853

PDB entries from 2024-04-24

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