2.0
2012-07-30 14:54:43 -0600
2015-06-03 17:20:47 -0600
ECMDB21166
M2MDB001575
2-tetradecanoyl-sn-glycerol 3-phosphate
2-tetradecanoyl-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)
2-Tetradecanoyl-sn-glycerol 3-phosphoric acid
C17H35O7P
382.4294
382.212039986
[3-hydroxy-2-(tetradecanoyloxy)propoxy]phosphonic acid
3-hydroxy-2-(tetradecanoyloxy)propoxyphosphonic acid
CCCCCCCCCCCCCC(=O)OC(CO)COP(O)(O)=O
InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)24-16(14-18)15-23-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)
AKURFOGPABVRGG-UHFFFAOYSA-N
Membrane
logp
3.09
logs
-4.28
solubility
1.99e-02 g/l
logp
4.07
pka_strongest_acidic
1.32
pka_strongest_basic
-3
iupac
[3-hydroxy-2-(tetradecanoyloxy)propoxy]phosphonic acid
average_mass
382.4294
mono_mass
382.212039986
smiles
CCCCCCCCCCCCCC(=O)OC(CO)COP(O)(O)=O
formula
C17H35O7P
inchi
InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)24-16(14-18)15-23-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)
inchikey
AKURFOGPABVRGG-UHFFFAOYSA-N
polar_surface_area
113.29
refractivity
95.78
polarizability
42.59
rotatable_bond_count
18
acceptor_count
5
donor_count
3
physiological_charge
-2
formal_charge
0
Specdb::CMs
1085754
Specdb::NmrOneD
295195
Specdb::NmrOneD
295196
Specdb::NmrOneD
295197
Specdb::NmrOneD
295198
Specdb::NmrOneD
295199
Specdb::NmrOneD
295200
Specdb::NmrOneD
295201
Specdb::NmrOneD
295202
Specdb::NmrOneD
295203
Specdb::NmrOneD
295204
Specdb::NmrOneD
295205
Specdb::NmrOneD
295206
Specdb::NmrOneD
295207
Specdb::NmrOneD
295208
Specdb::NmrOneD
295209
Specdb::NmrOneD
295210
Specdb::NmrOneD
295211
Specdb::NmrOneD
295212
Specdb::NmrOneD
295213
Specdb::NmrOneD
295214
Specdb::MsMs
26300
Specdb::MsMs
26301
Specdb::MsMs
26302
Specdb::MsMs
32858
Specdb::MsMs
32859
Specdb::MsMs
32860
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
Lysophospholipase L2
P07000
PLDB_ECOLI
pldB
http://ecmdb.ca/proteins/P07000.xml
Phospholipase A1
P0A921
PA1_ECOLI
pldA
http://ecmdb.ca/proteins/P0A921.xml
Lysophospholipid transporter lplT
P39196
LPLT_ECOLI
lplT
http://ecmdb.ca/proteins/P39196.xml
Water + PA(16:0/16:0) > 2-tetradecanoyl-sn-glycerol 3-phosphate + tetradecanoate (n-C14:0)
2-tetradecanoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate +2 Hydrogen ion + tetradecanoate (n-C14:0)