2.0
2012-07-30 14:55:23 -0600
2015-06-03 17:21:12 -0600
ECMDB21348
M2MDB001746
Octadecenoate (N-C18:1)
Octadecenoate is the salt or easter of octadecenoic acid (oleic acid).
Octadecenoic acid (N-C18:1)
C18H33O2
281.4534
281.2480553
(9E)-octadec-9-enoate
elaidate
[H]\C(CCCCCCCC)=C(\[H])CCCCCCCC([O-])=O
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9+
ZQPPMHVWECSIRJ-MDZDMXLPSA-M
Membrane
logp
7.71
logs
-6.99
solubility
3.08e-05 g/l
logp
6.78
pka_strongest_acidic
4.99
iupac
(9E)-octadec-9-enoate
average_mass
281.4534
mono_mass
281.2480553
smiles
[H]\C(CCCCCCCC)=C(\[H])CCCCCCCC([O-])=O
formula
C18H33O2
inchi
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9+
inchikey
ZQPPMHVWECSIRJ-MDZDMXLPSA-M
polar_surface_area
40.13
refractivity
98.24
polarizability
37.16
rotatable_bond_count
15
acceptor_count
2
donor_count
0
physiological_charge
-1
formal_charge
-1
Specdb::NmrOneD
282829
Specdb::NmrOneD
282830
Specdb::NmrOneD
282831
Specdb::NmrOneD
282832
Specdb::NmrOneD
282833
Specdb::NmrOneD
282834
Specdb::NmrOneD
282835
Specdb::NmrOneD
282836
Specdb::NmrOneD
282837
Specdb::NmrOneD
282838
Specdb::NmrOneD
282839
Specdb::NmrOneD
282840
Specdb::NmrOneD
282841
Specdb::NmrOneD
282842
Specdb::NmrOneD
282843
Specdb::NmrOneD
282844
Specdb::NmrOneD
282845
Specdb::NmrOneD
282846
Specdb::NmrOneD
282847
Specdb::NmrOneD
282848
Specdb::MsMs
28223
Specdb::MsMs
28224
Specdb::MsMs
28225
Specdb::MsMs
34781
Specdb::MsMs
34782
Specdb::MsMs
34783
4574429
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
Acylphosphatase
P0AB65
ACYP_ECOLI
yccX
http://ecmdb.ca/proteins/P0AB65.xml
Acyl-CoA thioesterase I
P0ADA1
TESA_ECOLI
tesA
http://ecmdb.ca/proteins/P0ADA1.xml
Bifunctional protein aas
P31119
AAS_ECOLI
aas
http://ecmdb.ca/proteins/P31119.xml
Long-chain-fatty-acid--CoA ligase
P69451
LCFA_ECOLI
fadD
http://ecmdb.ca/proteins/P69451.xml
Short-chain-fatty-acid--CoA ligase
P38135
FADK_ECOLI
fadK
http://ecmdb.ca/proteins/P38135.xml
Acyl-CoA thioesterase 2
P0AGG2
TESB_ECOLI
tesB
http://ecmdb.ca/proteins/P0AGG2.xml
Acyl carrier protein
P0A6A8
ACP_ECOLI
acpP
http://ecmdb.ca/proteins/P0A6A8.xml
Long-chain fatty acid transport protein
P10384
FADL_ECOLI
fadL
http://ecmdb.ca/proteins/P10384.xml
Adenosine triphosphate + Coenzyme A + Hydrogen ion + Octadecenoate (N-C18:1) > Adenosine monophosphate + Hydrogen ion + Octadecenoyl-CoA (N-C18:1CoA) + Pyrophosphate
acyl carrier protein + Adenosine triphosphate + Octadecenoate (N-C18:1) > Adenosine monophosphate + cis-octadec-11-enoyl-[acyl-carrier protein] (n-C18:1) + Pyrophosphate
Water + Octadecenoyl-CoA (N-C18:1CoA) > Coenzyme A + Hydrogen ion + Octadecenoate (N-C18:1)
1-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:1) + Water > Glycerylphosphorylethanolamine + Hydrogen ion + Octadecenoate (N-C18:1)
1-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Water > Glycerophosphoglycerol + Hydrogen ion + Octadecenoate (N-C18:1)
1-Octadec-11-enoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate + Hydrogen ion + Octadecenoate (N-C18:1)
Water + Octadecanoyl-phosphate (n-C18:1) >2 Hydrogen ion + Octadecenoate (N-C18:1) + Phosphate
2-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:1) + Adenosine triphosphate + Octadecenoate (N-C18:1) > Adenosine monophosphate + PE(14:0/14:0) + Pyrophosphate
2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Adenosine triphosphate + Octadecenoate (N-C18:1) > Adenosine monophosphate + PG(18:1(11Z)/18:1(11Z)) + Pyrophosphate
Water + PA(16:0/16:0) > 1-Octadec-11-enoyl-sn-glycerol 3-phosphate + Hydrogen ion + Octadecenoate (N-C18:1)
Water + PA(16:0/16:0) > 2-octadec-11-enoyl-sn-glycerol 3-phosphate + Octadecenoate (N-C18:1)
Water + PE(14:0/14:0) > 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:1) + Hydrogen ion + Octadecenoate (N-C18:1)
Water + PE(14:0/14:0) > 2-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:1) + Hydrogen ion + Octadecenoate (N-C18:1)
Water + PG(18:1(11Z)/18:1(11Z)) > 1-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Hydrogen ion + Octadecenoate (N-C18:1)
Water + PG(18:1(11Z)/18:1(11Z)) > 2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Hydrogen ion + Octadecenoate (N-C18:1)
2-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:1) + Water > Glycerylphosphorylethanolamine + Hydrogen ion + Octadecenoate (N-C18:1)
2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Water > Glycerophosphoglycerol + Hydrogen ion + Octadecenoate (N-C18:1)
2-octadec-11-enoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate +2 Hydrogen ion + Octadecenoate (N-C18:1)