2.0
2012-07-30 14:54:40 -0600
2015-06-03 17:20:42 -0600
ECMDB21130
M2MDB001539
1-Octadec-11-enoyl-sn-glycerol 3-phosphate
1-octadec-11-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-Octadec-11-enoyl-sn-glycerol 3-phosphoric acid
C21H39O7P
434.5039
434.243340114
2-hydroxy-3-(phosphonatooxy)propyl (11E)-octadec-11-enoate
2-hydroxy-3-(phosphonatooxy)propyl (11E)-octadec-11-enoate
[H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=O)OCC(O)COP([O-])([O-])=O
InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h7-8,20,22H,2-6,9-19H2,1H3,(H2,24,25,26)/p-2/b8-7+
LWSYATLSXCUNTB-BQYQJAHWSA-L
Cytosol
Membrane
Periplasm
logp
5.56
logs
-5.32
solubility
2.28e-03 g/l
logp
5.49
pka_strongest_acidic
1.51
pka_strongest_basic
-3.4
iupac
2-hydroxy-3-(phosphonatooxy)propyl (11E)-octadec-11-enoate
average_mass
434.5039
mono_mass
434.243340114
smiles
[H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=O)OCC(O)COP([O-])([O-])=O
formula
C21H39O7P
inchi
InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h7-8,20,22H,2-6,9-19H2,1H3,(H2,24,25,26)/p-2/b8-7+
inchikey
LWSYATLSXCUNTB-BQYQJAHWSA-L
polar_surface_area
118.95
refractivity
113.06
polarizability
49.61
rotatable_bond_count
21
acceptor_count
5
donor_count
1
physiological_charge
-2
formal_charge
-2
Specdb::NmrOneD
331362
Specdb::NmrOneD
331363
Specdb::NmrOneD
331364
Specdb::NmrOneD
331365
Specdb::NmrOneD
331366
Specdb::NmrOneD
331367
Specdb::NmrOneD
331368
Specdb::NmrOneD
331369
Specdb::NmrOneD
331370
Specdb::NmrOneD
331371
Specdb::NmrOneD
331372
Specdb::NmrOneD
331373
Specdb::NmrOneD
331374
Specdb::NmrOneD
331375
Specdb::NmrOneD
331376
Specdb::NmrOneD
331377
Specdb::NmrOneD
331378
Specdb::NmrOneD
331379
Specdb::NmrOneD
331380
Specdb::NmrOneD
331381
Specdb::MsMs
22973
Specdb::MsMs
22974
Specdb::MsMs
22975
Specdb::MsMs
29771
Specdb::MsMs
29772
Specdb::MsMs
29773
CPD0-2220
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-octadec-11-enoyl-[acyl-carrier protein] (n-C18:1) > 1-Octadec-11-enoyl-sn-glycerol 3-phosphate + acyl carrier protein
1-Octadec-11-enoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate + Hydrogen ion + Octadecenoate (N-C18:1)
1-Octadec-11-enoyl-sn-glycerol 3-phosphate + cis-octadec-11-enoyl-[acyl-carrier protein] (n-C18:1) > acyl carrier protein + PA(16:0/16:0)
Glycerol 3-phosphate + Octadecanoyl-phosphate (n-C18:1) > 1-Octadec-11-enoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate
Water + PA(16:0/16:0) > 1-Octadec-11-enoyl-sn-glycerol 3-phosphate + Hydrogen ion + Octadecenoate (N-C18:1)