2.0
2012-07-30 14:54:40 -0600
2015-06-03 17:20:42 -0600
ECMDB21132
M2MDB001541
1-Tetradec-7-enoyl-sn-glycerol 3-phosphate
1-tetradec-7-enoyl-sn-glycerol 3-phosphate belongs to the class of Lysophosphatidic Acids. These are glycerophosphates where the glycerol is esterified with one saturated fatty acid. (inferred from compound structure)
1-Tetradec-7-enoyl-sn-glycerol 3-phosphoric acid
C17H31O7P
378.3976
378.180739858
2-hydroxy-3-(phosphonatooxy)propyl (7E)-tetradec-7-enoate
2-hydroxy-3-(phosphonatooxy)propyl (7E)-tetradec-7-enoate
[H]\C(CCCCCC)=C(\[H])CCCCCC(=O)OCC(O)COP([O-])([O-])=O
InChI=1S/C17H33O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h7-8,16,18H,2-6,9-15H2,1H3,(H2,20,21,22)/p-2/b8-7+
ABWKYTQKHWCOFM-BQYQJAHWSA-L
Cytosol
Membrane
Periplasm
logp
3.85
logs
-3.44
solubility
1.51e-01 g/l
logp
3.71
pka_strongest_acidic
1.51
pka_strongest_basic
-3.4
iupac
2-hydroxy-3-(phosphonatooxy)propyl (7E)-tetradec-7-enoate
average_mass
378.3976
mono_mass
378.180739858
smiles
[H]\C(CCCCCC)=C(\[H])CCCCCC(=O)OCC(O)COP([O-])([O-])=O
formula
C17H31O7P
inchi
InChI=1S/C17H33O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h7-8,16,18H,2-6,9-15H2,1H3,(H2,20,21,22)/p-2/b8-7+
inchikey
ABWKYTQKHWCOFM-BQYQJAHWSA-L
polar_surface_area
118.95
refractivity
94.65
polarizability
41.05
rotatable_bond_count
17
acceptor_count
5
donor_count
1
physiological_charge
-2
formal_charge
-2
Specdb::NmrOneD
309891
Specdb::NmrOneD
309892
Specdb::NmrOneD
309893
Specdb::NmrOneD
309894
Specdb::NmrOneD
309895
Specdb::NmrOneD
309896
Specdb::NmrOneD
309897
Specdb::NmrOneD
309898
Specdb::NmrOneD
309899
Specdb::NmrOneD
309900
Specdb::NmrOneD
309901
Specdb::NmrOneD
309902
Specdb::NmrOneD
309903
Specdb::NmrOneD
309904
Specdb::NmrOneD
309905
Specdb::NmrOneD
309906
Specdb::NmrOneD
309907
Specdb::NmrOneD
309908
Specdb::NmrOneD
309909
Specdb::NmrOneD
309910
Specdb::MsMs
26651
Specdb::MsMs
26652
Specdb::MsMs
26653
Specdb::MsMs
33209
Specdb::MsMs
33210
Specdb::MsMs
33211
CPD0-2122
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
Glycerol 3-phosphate + cis-tetradec-7-enoyl-[acyl-carrier protein] (n-C14:1) > 1-Tetradec-7-enoyl-sn-glycerol 3-phosphate + acyl carrier protein
1-Tetradec-7-enoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate + Hydrogen ion + Tetradecenoate (N-C14:1)
1-Tetradec-7-enoyl-sn-glycerol 3-phosphate + cis-tetradec-7-enoyl-[acyl-carrier protein] (n-C14:1) > acyl carrier protein + PA(16:0/16:0)
Glycerol 3-phosphate + Tetradecanoyl-phosphate (n-C14:1) > 1-Tetradec-7-enoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate
Water + PA(16:0/16:0) > 1-Tetradec-7-enoyl-sn-glycerol 3-phosphate + Hydrogen ion + Tetradecenoate (N-C14:1)