2.0
2012-07-30 14:54:43 -0600
2015-06-03 17:20:46 -0600
ECMDB21160
M2MDB001569
2-hexadec-9-enoyl-sn-glycerol 3-phosphate
2-hexadec-9-enoyl-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-Hexadec-9-enoyl-sn-glycerol 3-phosphoric acid
C19H37O7P
408.4666
408.22769005
{2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropoxy}phosphonic acid
2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropoxyphosphonic acid
CCCCCC\C=C/CCCCCCCC(=O)OC(CO)COP(O)(O)=O
InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)26-18(16-20)17-25-27(22,23)24/h7-8,18,20H,2-6,9-17H2,1H3,(H2,22,23,24)/b8-7-
OEVKBXAONHVWMU-FPLPWBNLSA-N
Membrane
logp
3.77
logs
-4.96
solubility
4.46e-03 g/l
logp
4.6
pka_strongest_acidic
1.32
pka_strongest_basic
-3
iupac
{2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropoxy}phosphonic acid
average_mass
408.4666
mono_mass
408.22769005
smiles
CCCCCC\C=C/CCCCCCCC(=O)OC(CO)COP(O)(O)=O
formula
C19H37O7P
inchi
InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)26-18(16-20)17-25-27(22,23)24/h7-8,18,20H,2-6,9-17H2,1H3,(H2,22,23,24)/b8-7-
inchikey
OEVKBXAONHVWMU-FPLPWBNLSA-N
polar_surface_area
113.29
refractivity
106.1
polarizability
45.37
rotatable_bond_count
19
acceptor_count
5
donor_count
3
physiological_charge
-2
formal_charge
0
Specdb::CMs
1084961
Specdb::MsMs
27278
Specdb::MsMs
27279
Specdb::MsMs
27280
Specdb::MsMs
33836
Specdb::MsMs
33837
Specdb::MsMs
33838
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-hexadec-9-enoyl-sn-glycerol 3-phosphate + Hexadecenoate (n-C16:1)
2-hexadec-9-enoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate +2 Hydrogen ion + Hexadecenoate (n-C16:1)