PG2

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Summary

Name:PROSTAGLANDIN D2
Synonyms:(5E,13E)-9,15-DIHYDROXY-11-OXOPROSTA-5,13-DIEN-1-OIC ACID
Formula:C20 H32 O5
Formal charge:0
Molecular weight:352.465 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(5Z,9alpha,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acid
OpenEye OEToolkits1.5.0(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-cyclopentyl]hept-5-enoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1CC(O)C(C\C=C/CCCC(=O)O)C1/C=C/C(O)CCCCC
SMILES_CANONICALCACTVS3.341CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O
SMILESCACTVS3.341CCCCC[CH](O)C=C[CH]1[CH](CC=CCCCC(O)=O)[CH](O)CC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCC[C@@H](\C=C\[C@@H]1[C@H]([C@H](CC1=O)O)C\C=C/CCCC(=O)O)O
SMILESOpenEye OEToolkits1.5.0CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O
InChIInChI1.03InChI=1S/C20H32O5/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/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
InChIKeyInChI1.03BHMBVRSPMRCCGG-OUTUXVNYSA-N