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Also known as: Protectin d1, 660430-03-5, Npd1, (4z,7z,10r,11e,13e,15z,17s,19z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid, 10r,17s-dihydroxy-docosa-4z,7z,11e,13e,15z,19z-hexaenoic acid, 4,7,11,13,15,19-docosahexaenoic acid, 10,17-dihydroxy-,(4z,7z,11e,13e,15z,17s,19z)-

Molecular Formula

C₂₂H₃₂O₄

Molecular Weight

360.5 g/mol

InChI Key

CRDZYJSQHCXHEG-SFVBTVKNSA-N

FDA UNII

P3FX063KLI

1 2D Structure

AP-001

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid

2.1.2 InChI

InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1

2.1.3 InChI Key

CRDZYJSQHCXHEG-SFVBTVKNSA-N

2.2 Other Identifiers

2.2.1 UNII

P3FX063KLI

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 10r,17s-dihydroxy-docosa-4z,7z,11e,13e,15z,19z-hexaenoic Acid

2. Protectin D1

2.3.2 Depositor-Supplied Synonyms

1. Protectin D1

2. 660430-03-5

3. Npd1

4. (4z,7z,10r,11e,13e,15z,17s,19z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic Acid

5. 10r,17s-dihydroxy-docosa-4z,7z,11e,13e,15z,19z-hexaenoic Acid

6. 4,7,11,13,15,19-docosahexaenoic Acid, 10,17-dihydroxy-,(4z,7z,11e,13e,15z,17s,19z)-

7. Pd1

8. 10r,17s-dihydroxy-4z,7z,11e,13e,15z,19z-docosahexaenoic Acid

9. Npd-1

10. (neuro)protectin D1

11. P3fx063kli

12. (n)pd1

13. Schembl4160957

14. Chembl3234407

15. Chebi:138655

16. Dtxsid101031663

17. Ap-001

18. Lmfa04040001

19. Akos040755787

20. Hy-130413

21. Cs-0107663

22. Q18345077

23. 10r,17s-dihydroxy-docosa-4z,7z,11e,13e,15z,19z-hexaenoate

24. (4z,7z,10r,11e,13e,15z,17s,19z)-10,17-dihydroxydocosahexaenoic Acid

25. 10(r),17(s)-dihydroxydocosa-4z,7z,11e,13e,15z,19z-hexaenoic Acid

26. (4z,7z,10r,11e,13e,15z,17s,19z) 10,17-dihydroxy-docosa-4,7,11,13,15,19-hexaenoic Acid

27. 4,7,11,13,15,19-docosahexaenoic Acid, 10,17-dihydroxy-, (4z,7z,10r,11e,13e,15z,17s,19z)-

2.4 Create Date

2007-04-23

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₃₂O₄
Molecular Weight	360.5 g/mol
XLogP3	4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	14
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	77.8
Heavy Atom Count	26
Formal Charge	0
Complexity	524
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	6
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1