2.0
2012-07-30 14:55:08 -0600
2015-06-03 17:21:01 -0600
ECMDB21258
M2MDB001666
Octadecanoyl-phosphate (n-C18:0)
Octadecanoyl-phosphate (n-c18:0) belongs to the class of Acyl Phosphates. These are organic compounds containing the functional group -CO-P(O)(O)OH. (inferred from compound structure)
Octadecanoyl-phosphoric acid (N-C18:0)
C18H35O5P
362.4413
362.222210742
(octadecanoyloxy)phosphonate
octadecanoyloxyphosphonate
CCCCCCCCCCCCCCCCCC(=O)OP([O-])([O-])=O
InChI=1S/C18H37O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23-24(20,21)22/h2-17H2,1H3,(H2,20,21,22)/p-2
MAMGRWPRCADEJL-UHFFFAOYSA-L
Cytosol
Membrane
logp
6.38
logs
-5.48
solubility
1.32e-03 g/l
logp
6.49
pka_strongest_acidic
1.23
pka_strongest_basic
-7.4
iupac
(octadecanoyloxy)phosphonate
average_mass
362.4413
mono_mass
362.222210742
smiles
CCCCCCCCCCCCCCCCCC(=O)OP([O-])([O-])=O
formula
C18H35O5P
inchi
InChI=1S/C18H37O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23-24(20,21)22/h2-17H2,1H3,(H2,20,21,22)/p-2
inchikey
MAMGRWPRCADEJL-UHFFFAOYSA-L
polar_surface_area
89.49
refractivity
95.2
polarizability
42.65
rotatable_bond_count
18
acceptor_count
4
donor_count
0
physiological_charge
-2
formal_charge
-2
Specdb::NmrOneD
315781
Specdb::NmrOneD
315782
Specdb::NmrOneD
315783
Specdb::NmrOneD
315784
Specdb::NmrOneD
315785
Specdb::NmrOneD
315786
Specdb::NmrOneD
315787
Specdb::NmrOneD
315788
Specdb::NmrOneD
315789
Specdb::NmrOneD
315790
Specdb::NmrOneD
315791
Specdb::NmrOneD
315792
Specdb::NmrOneD
315793
Specdb::NmrOneD
315794
Specdb::NmrOneD
315795
Specdb::NmrOneD
315796
Specdb::NmrOneD
315797
Specdb::NmrOneD
315798
Specdb::NmrOneD
315799
Specdb::NmrOneD
315800
Specdb::MsMs
26123
Specdb::MsMs
26124
Specdb::MsMs
26125
Specdb::MsMs
32681
Specdb::MsMs
32682
Specdb::MsMs
32683
Acylphosphatase
P0AB65
ACYP_ECOLI
yccX
http://ecmdb.ca/proteins/P0AB65.xml
Phosphate acyltransferase
P27247
PLSX_ECOLI
plsX
http://ecmdb.ca/proteins/P27247.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
Hydrogen ion + Octadecanoyl-ACP (n-C18:0ACP) + Phosphate > acyl carrier protein + Octadecanoyl-phosphate (n-C18:0)
Water + Octadecanoyl-phosphate (n-C18:0) >2 Hydrogen ion + Octadecanoate (N-C18:0) + Phosphate
Glycerol 3-phosphate + Octadecanoyl-phosphate (n-C18:0) > 1-Octadecanoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate