2.0
2012-07-30 14:54:40 -0600
2015-06-03 17:20:42 -0600
ECMDB21129
M2MDB001538
1-hexadecanoyl-sn-glycerol 3-phosphate
1-hexadecanoyl-sn-glycerol 3-phosphate belongs to the class of Lysophosphatidic Acids. These are glycerophosphates where the glycerol is esterified with one saturated fatty acid. (inferred from compound structure)
(2-hydroxy-3-phosphonooxypropyl) hexadecanoate
(2-Hydroxy-3-phosphonooxypropyl) hexadecanoic acid
1-Hexadecanoyl-sn-glycero-3-phosphate
1-Hexadecanoyl-sn-glycero-3-phosphoric acid
1-Hexadecanoyl-sn-glycerol 3-phosphoric acid
1-Palmitoyl lysophosphatidate
1-Palmitoyl lysophosphatidic acid
1-Palmitoylglycerol 3-phosphate
1-Palmitoylglycerol 3-phosphoric acid
C19H39O7P
410.4825
410.243340114
[3-(hexadecanoyloxy)-2-hydroxypropoxy]phosphonic acid
PLPA
CCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(O)=O
InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)
YNDYKPRNFWPPFU-UHFFFAOYSA-N
Membrane
logp
3.87
logs
-5.23
solubility
2.42e-03 g/l
logp
4.96
pka_strongest_acidic
1.51
pka_strongest_basic
-3.4
iupac
[3-(hexadecanoyloxy)-2-hydroxypropoxy]phosphonic acid
average_mass
410.4825
mono_mass
410.243340114
smiles
CCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(O)=O
formula
C19H39O7P
inchi
InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)
inchikey
YNDYKPRNFWPPFU-UHFFFAOYSA-N
polar_surface_area
113.29
refractivity
104.98
polarizability
47.18
rotatable_bond_count
20
acceptor_count
5
donor_count
3
physiological_charge
-2
formal_charge
0
Specdb::CMs
39409
Specdb::CMs
148976
Specdb::MsMs
25856
Specdb::MsMs
25857
Specdb::MsMs
25858
Specdb::MsMs
32414
Specdb::MsMs
32415
Specdb::MsMs
32416
Specdb::MsMs
1470973
Specdb::MsMs
2826214
Specdb::MsMs
2826215
Specdb::MsMs
2826216
Specdb::MsMs
2855533
Specdb::MsMs
2855534
Specdb::MsMs
2855535
C04036
Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A
Glycerol-3-phosphate acyltransferase
P0A7A7
PLSB_ECOLI
plsB
http://ecmdb.ca/proteins/P0A7A7.xml
Phospholipase A1
P0A921
PA1_ECOLI
pldA
http://ecmdb.ca/proteins/P0A921.xml
Acyl-CoA thioesterase I
P0ADA1
TESA_ECOLI
tesA
http://ecmdb.ca/proteins/P0ADA1.xml
1-acyl-sn-glycerol-3-phosphate acyltransferase
P26647
PLSC_ECOLI
plsC
http://ecmdb.ca/proteins/P26647.xml
Probable glycerol-3-phosphate acyltransferase
P60782
PLSY_ECOLI
plsY
http://ecmdb.ca/proteins/P60782.xml
Acyl carrier protein
P0A6A8
ACP_ECOLI
acpP
http://ecmdb.ca/proteins/P0A6A8.xml
Glycerol 3-phosphate + Palmitoyl-ACP (n-C16:0ACP) > 1-hexadecanoyl-sn-glycerol 3-phosphate + acyl carrier protein
1-hexadecanoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate + Hydrogen ion + Palmitic acid
1-hexadecanoyl-sn-glycerol 3-phosphate + Palmitoyl-ACP (n-C16:0ACP) > acyl carrier protein + PA(16:0/16:0)
Glycerol 3-phosphate + Hexadecanoyl-phosphate (n-C16:0) > 1-hexadecanoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate
Water + PA(16:0/16:0) > 1-hexadecanoyl-sn-glycerol 3-phosphate + Hydrogen ion + Palmitic acid