5OP

(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID

Created: 2003-11-11
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count55
Aromatic Bond Count0
2D diagram of 5OP
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Chemical Component Summary

Name(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID
Synonyms15-OXO-PGE2
Systematic Name (OpenEye OEToolkits)7-[(1S,2S,3R)-3-hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acid
FormulaC20 H30 O5
Molecular Weight350.449
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)CCC/C=C/CC1C(=O)CC(O)C1\C=C\C(=O)CCCCC
SMILESCACTVS3.341CCCCCC(=O)C=C[CH]1C(O)CC(=O)[CH]1CC=CCCCC(O)=O
SMILESOpenEye OEToolkits1.5.0CCCCCC(=O)C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O
Canonical SMILESCACTVS3.341 CCCCCC(=O)\C=C\[C@@H]1C(O)CC(=O)[C@H]1CC=CCCCC(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCC(=O)\C=C\[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCCCC(=O)O)O
InChIInChI1.03 InChI=1S/C20H30O5/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/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+
InChIKeyInChI1.03 YRTJDWROBKPZNV-SFTOQRQMSA-N

Drug Info: DrugBank

DrugBank IDDB07177 
Name(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID
Groups experimental
Synonyms(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID

Drug Targets

NameTarget SequencePharmacological ActionActions
Prostaglandin reductase 1MVRTKTWTLKKHFVGYPTNSDFELKTAELPPLKNGEVLLEALFLTVDPYM...unknown
Prostaglandin reductase 2MIVQRVVLNSRPGKNGNPVAENFRMEEVYLPDNINEGQVQVRTLYLSVDP...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 137348384