2.0
2012-07-30 14:54:40 -0600
2015-06-03 17:20:41 -0600
ECMDB21127
M2MDB001536
1-Dodecanoyl-sn-glycerol 3-phosphate
1-dodecanoyl-sn-glycerol 3-phosphate belongs to the class of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid. (inferred from compound structure)
1-dodecanoyl-sn-glycerol 3-phosphate
1-Dodecanoyl-sn-glycerol 3-phosphoric acid
C15H29O7P
352.3603
352.165089794
2-hydroxy-3-(phosphonatooxy)propyl dodecanoate
2-hydroxy-3-(phosphonatooxy)propyl dodecanoate
CCCCCCCCCCCC(=O)OCC(O)COP([O-])([O-])=O
InChI=1S/C15H31O7P/c1-2-3-4-5-6-7-8-9-10-11-15(17)21-12-14(16)13-22-23(18,19)20/h14,16H,2-13H2,1H3,(H2,18,19,20)/p-2
STTKJLVEXMKLNA-UHFFFAOYSA-L
Cytosol
Membrane
Periplasm
logp
3.18
logs
-2.68
solubility
8.04e-01 g/l
logp
3.18
pka_strongest_acidic
1.51
pka_strongest_basic
-3.4
iupac
2-hydroxy-3-(phosphonatooxy)propyl dodecanoate
average_mass
352.3603
mono_mass
352.165089794
smiles
CCCCCCCCCCCC(=O)OCC(O)COP([O-])([O-])=O
formula
C15H29O7P
inchi
InChI=1S/C15H31O7P/c1-2-3-4-5-6-7-8-9-10-11-15(17)21-12-14(16)13-22-23(18,19)20/h14,16H,2-13H2,1H3,(H2,18,19,20)/p-2
inchikey
STTKJLVEXMKLNA-UHFFFAOYSA-L
polar_surface_area
118.95
refractivity
84.33
polarizability
37.83
rotatable_bond_count
16
acceptor_count
5
donor_count
1
physiological_charge
-2
formal_charge
-2
Specdb::NmrOneD
314041
Specdb::NmrOneD
314042
Specdb::NmrOneD
314043
Specdb::NmrOneD
314044
Specdb::NmrOneD
314045
Specdb::NmrOneD
314046
Specdb::NmrOneD
314047
Specdb::NmrOneD
314048
Specdb::NmrOneD
314049
Specdb::NmrOneD
314050
Specdb::NmrOneD
314051
Specdb::NmrOneD
314052
Specdb::NmrOneD
314053
Specdb::NmrOneD
314054
Specdb::NmrOneD
314055
Specdb::NmrOneD
314056
Specdb::NmrOneD
314057
Specdb::NmrOneD
314058
Specdb::NmrOneD
314059
Specdb::NmrOneD
314060
Specdb::MsMs
27602
Specdb::MsMs
27603
Specdb::MsMs
27604
Specdb::MsMs
34160
Specdb::MsMs
34161
Specdb::MsMs
34162
45479343
CPD0-2200
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
Dodecanoyl-ACP (n-C12:0ACP) + Glycerol 3-phosphate > 1-Dodecanoyl-sn-glycerol 3-phosphate + acyl carrier protein
1-Dodecanoyl-sn-glycerol 3-phosphate + Water > Dodecanoate (N-C12:0) + Glycerol 3-phosphate + Hydrogen ion
1-Dodecanoyl-sn-glycerol 3-phosphate + Dodecanoyl-ACP (n-C12:0ACP) > acyl carrier protein + PA(16:0/16:0)
Dodecanoly-phosphate (n-C12:0) + Glycerol 3-phosphate > 1-Dodecanoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate
Water + PA(16:0/16:0) > 1-Dodecanoyl-sn-glycerol 3-phosphate + Dodecanoate (N-C12:0) + Hydrogen ion