2.0
2012-07-30 14:54:43 -0600
2015-06-03 17:20:47 -0600
ECMDB21163
M2MDB001572
2-octadecanoyl-sn-glycerol 3-phosphate
2-octadecanoyl-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-Octadecanoyl-sn-glycerol 3-phosphoric acid
C21H43O7P
438.5357
438.274640242
[3-hydroxy-2-(octadecanoyloxy)propoxy]phosphonic acid
3-hydroxy-2-(octadecanoyloxy)propoxyphosphonic acid
CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(O)(O)=O
InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)
RPAOEHFOGLEBTJ-UHFFFAOYSA-N
Membrane
logp
4.91
logs
-5.45
solubility
1.56e-03 g/l
logp
5.85
pka_strongest_acidic
1.32
pka_strongest_basic
-3
iupac
[3-hydroxy-2-(octadecanoyloxy)propoxy]phosphonic acid
average_mass
438.5357
mono_mass
438.274640242
smiles
CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(O)(O)=O
formula
C21H43O7P
inchi
InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)
inchikey
RPAOEHFOGLEBTJ-UHFFFAOYSA-N
polar_surface_area
113.29
refractivity
114.18
polarizability
51.15
rotatable_bond_count
22
acceptor_count
5
donor_count
3
physiological_charge
-2
formal_charge
0
Specdb::CMs
39406
Specdb::CMs
132238
Specdb::CMs
139972
Specdb::NmrOneD
310611
Specdb::NmrOneD
310612
Specdb::NmrOneD
310613
Specdb::NmrOneD
310614
Specdb::NmrOneD
310615
Specdb::NmrOneD
310616
Specdb::NmrOneD
310617
Specdb::NmrOneD
310618
Specdb::NmrOneD
310619
Specdb::NmrOneD
310620
Specdb::NmrOneD
310621
Specdb::NmrOneD
310622
Specdb::NmrOneD
310623
Specdb::NmrOneD
310624
Specdb::NmrOneD
310625
Specdb::NmrOneD
310626
Specdb::NmrOneD
310627
Specdb::NmrOneD
310628
Specdb::NmrOneD
310629
Specdb::NmrOneD
310630
Specdb::MsMs
25010
Specdb::MsMs
25011
Specdb::MsMs
25012
Specdb::MsMs
31568
Specdb::MsMs
31569
Specdb::MsMs
31570
Specdb::MsMs
2415118
Specdb::MsMs
2415119
Specdb::MsMs
2415120
Specdb::MsMs
2547222
Specdb::MsMs
2547223
Specdb::MsMs
2547224
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-octadecanoyl-sn-glycerol 3-phosphate + Octadecanoate (N-C18:0)
2-octadecanoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate +2 Hydrogen ion + Octadecanoate (N-C18:0)