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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 20246-55-3, Glyceryl tripalmitoleate, Triglyceride popopo, Hiver oil pt-70, Glycerol tripalmitoleate, Tripalmitolein [inci]

Molecular Formula

C₅₁H₉₂O₆

Molecular Weight

801.3 g/mol

InChI Key

SKGWNZXOCSYJQL-BUTYCLJRSA-N

FDA UNII

N9836937KG

TG(16:1(9Z)/16:1(9Z)/16:1(9Z)) is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

Tripalmitolein

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl (Z)-hexadec-9-enoate

2.1.2 InChI

InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,48H,4-18,25-47H2,1-3H3/b22-19-,23-20-,24-21-

2.1.3 InChI Key

SKGWNZXOCSYJQL-BUTYCLJRSA-N

2.1.4 Canonical SMILES

CCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCC

2.1.5 Isomeric SMILES

CCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC

2.2 Other Identifiers

2.2.1 UNII

N9836937KG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 20246-55-3

2. Glyceryl Tripalmitoleate

3. Triglyceride Popopo

4. Hiver Oil Pt-70

5. Glycerol Tripalmitoleate

6. Tripalmitolein [inci]

7. Palmitoleic Acid Triglyceride

8. 129784-33-4

9. 9-hexadecenoic Acid, 1,1',1''-(1,2,3-propanetriyl) Ester, (9z,9'z,9''z)-

10. Tg(16:1(9z)/16:1(9z)/16:1(9z))

11. N9836937kg

12. Tg(16:1/16:1/16:1)

13. 1,2,3-tri-(9z-hexadecenoyl)-glycerol

14. 2,3-bis[[(z)-hexadec-9-enoyl]oxy]propyl (z)-hexadec-9-enoate

15. Tg 48:3

16. Glyceryl Tripalimitoleate

17. Tripalmitoleoin

18. Unii-n9836937kg

19. Lmgl03010020

20. Palmitoleoyl Triglyceride

21. 1,2,3-tripalmitoleoylglycerol

22. Schembl5705506

23. Chebi:75841

24. Dtxsid601021950

25. 134907-85-0

26. Zinc85552611

27. 1,2,3-tri-(9z)-hexadecenoylglycerol

28. 1,2,3-tri-(9z-hexadecenoyl)glycerol

29. 1,2,3-propanetriyl Ester Hexadecenoate

30. Glyceryl Tripalmitoleate, >=98%, Liquid

31. 1,2,3-propanetriyl Ester Hexadecenoic Acid

32. 1,2,3-tri-(9z-hexadecenoyl)-sn-glycerol

33. J-013144

34. Q27145586

35. Propane-1,2,3-triyl (9z,9'z,9''z)tris-hexadec-9-enoate

36. Tg [16:1(omega-7)/16:1(omega-7)/16:1(omega-7)]

37. Tg(16:1(9z)/16:1(9z)/16:1(9z)), Tripalmitolein

38. 30773-83-2

2.4 Create Date

2006-08-30

3 Chemical and Physical Properties

Molecular Formula	C₅₁H₉₂O₆
Molecular Weight	801.3 g/mol
XLogP3	19.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	47
Exact Mass	800.68939065 g/mol
Monoisotopic Mass	800.68939065 g/mol
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	917
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1