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Chemistry

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Also known as: L34s99kzcx, Pg(14:0/14:0), Gpgro(14:0/14:0), 1,2-dimyristoyl-sn-glycero-3-(phospho-s-(1-glycerol)), 57618-28-7, 1,2-ditetradecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)

Molecular Formula

C₃₄H₆₇O₁₀P

Molecular Weight

666.9 g/mol

InChI Key

BPHQZTVXXXJVHI-AJQTZOPKSA-N

FDA UNII

L34S99KZCX

PG(14:0/14:0) is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

1 2D Structure

Dimyristoylphosphatidylglycerol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate

2.1.2 InChI

InChI=1S/C34H67O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(37)41-29-32(30-43-45(39,40)42-28-31(36)27-35)44-34(38)26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,39,40)/t31-,32+/m0/s1

2.1.3 InChI Key

BPHQZTVXXXJVHI-AJQTZOPKSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCCCCCCC

2.1.5 Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCC

2.2 Other Identifiers

2.2.1 UNII

L34S99KZCX

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,2-dimyristoyl-sn-glycero-3-(phospho-rac-(1-glycerol))

2. 1,2-dimyristoyl-sn-glycerol-3-phosphoglycerol

3. Dimyristoylphosphatidylglycerol

4. Dmpg

2.3.2 Depositor-Supplied Synonyms

1. L34s99kzcx

2. Pg(14:0/14:0)

3. Gpgro(14:0/14:0)

4. 1,2-dimyristoyl-sn-glycero-3-(phospho-s-(1-glycerol))

5. 57618-28-7

6. 1,2-ditetradecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)

7. C14:0 Phosphatidylglycerol

8. Unii-l34s99kzcx

9. Chebi:60723

10. Ditetradecanoyl Phosphatidylglycerol

11. C14:0 Pg

12. Lmgp04010005

13. Zinc94437910

14. [1,2-dimyristoyl-sn-glycero-3-phospho]-sn-glycerol

15. Q27128563

16. 1,2-dimyristoyl Sn-glycero-3-phosphatidyl-1'-sn-glycerol

17. 1,2-dimyristoyl-sn-glycero-3-(phospho-s-(1-glycerol)) [ii]

18. (2r)-3-({[(2s)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(tetradecanoyloxy)propyl Tetradecanoate

19. Tetradecanoic Acid, (1r)-1-(((((2s)-2,3-dihydroxypropoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl Ester

20. Tetradecanoic Acid, 1,1'-((1r)-1-(((((2s)-2,3-dihydroxypropoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl) Ester

2.4 Create Date

2006-01-13

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₆₇O₁₀P
Molecular Weight	666.9 g/mol
XLogP3	10
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	36
Exact Mass	666.44718533 g/mol
Monoisotopic Mass	666.44718533 g/mol
Topological Polar Surface Area	149 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	736
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1