Also known as: Pgd1, 17968-82-0, 9alpha,15s-dihydroxy-11-oxo-prost-13e-en-1-oic acid, Fot50z88gw, Chembl2075005, Chebi:27696

Molecular Formula

C₂₀H₃₄O₅

Molecular Weight

354.5 g/mol

InChI Key

CIMMACURCPXICP-PNQRDDRVSA-N

FDA UNII

FOT50Z88GW

prostaglandin D1 is a natural product found in Homo sapiens with data available.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]heptanoic acid

2.1.2 InChI

InChI=1S/C20H34O5/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/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1

2.1.3 InChI Key

CIMMACURCPXICP-PNQRDDRVSA-N

2.1.4 Canonical SMILES

CCCCCC(C=CC1C(C(CC1=O)O)CCCCCCC(=O)O)O

2.1.5 Isomeric SMILES

CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)CCCCCCC(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

FOT50Z88GW

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Pgd1

2. 17968-82-0

3. 9alpha,15s-dihydroxy-11-oxo-prost-13e-en-1-oic Acid

4. Fot50z88gw

5. Chembl2075005

6. Chebi:27696

7. 9s,15s-dihydroxy-11-oxo-13e-prostaenoic Acid

8. 5-hydroxy-2-(3-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoic Acid

9. Cyclopentaneheptanoic Acid, 5-hydroxy-2-(3-hydroxy-1-octenyl)-3-oxo-

10. 7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]heptanoic Acid

11. (13e,15s)-9alpha,15-dihydroxy-11-oxoprost-13-en-1-oic Acid

12. 2-hydroxy-5-(3s-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoic Acid

13. Prost-13-en-1-oic Acid, 9,15-dihydroxy-11-oxo-, (9alpha,13e,15s)-

14. Brn 2159831

15. (13e,15s)-9alpha,15-dihydroxy-11-oxoprost-13-en-1-oate

16. 9a,15-dihydroxy-11-ketoprost-13-enoic Acid

17. Unii-fot50z88gw

18. Prost-13-en-1-oic Acid, 9,15-dihydroxy-11-oxo-, (9-alpha,13e,15s)-

19. 11-dehydro-prostaglandin F1a

20. Eicosanoids_pgd1_c20h34o5

21. Schembl23352514

22. Dtxsid80864809

23. Hms3650b05

24. Prostaglandin D1, (+)-

25. Zinc4097121

26. Bdbm50390998

27. Lmfa03010049

28. 9a,15-dihydroxy-11-ketoprost-13-enoate

29. 9s,15s-dihydroxy-11-oxo-13e-prostaenoate

30. Prostaglandin F1.alpha., 11-dehydro-

31. C06438

32. Sr-01000946319

33. Sr-01000946319-1

34. Q27103269

35. 9.alpha.,15s-dihydroxy-11-oxoprost-13e-en-1-oic Acid

36. 9.alpha.,15-dihydroxy-11-ketoprost-13-enoic Acid

37. 2-hydroxy-5-(3s-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoate

38. 5-hydroxy-2-(3-hydroxy-1-octenyl)-3-oxo-cyclopentaneheptanoate

39. 5-hydroxy-2-(3-hydroxy-1-octenyl)-3-oxo-cyclopentaneheptanoic Acid

40. 7-((1r,2r,5s)-5-hydroxy-2-((s,e)-3-hydroxyoct-1-enyl)-3-oxocyclopentyl)heptanoic Acid

41. Prost-13-en-1-oic Acid, 9,15-dihydroxy-11-oxo-, (9.alpha.,13e,15s)-

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₃₄O₅
Molecular Weight	354.5 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	13
Exact Mass	354.24062418 g/mol
Monoisotopic Mass	354.24062418 g/mol
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	432
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Prostaglandin D1

Prostaglandin D1

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