1.0
2010-04-08 22:05:36 UTC
2019-11-26 02:58:14 UTC
FDB002959
Glycerol 1-octadecanoate 2-(9Z-octadecenoate) 3-hexadecanoate
Constituent of cocoa butter and confectionery fats. Derived from palm oil. Coating agent. Glycerol 1-octadecanoate 2-(9Z-octadecenoate) 3-hexadecanoate is found in cocoa and cocoa products and fats and oils.
1-Hexadecanoyl-2-(9Z-octadecenoyl)-3-octadecanoyl-glycerol
1-Palmitoyl-2-oleoyl-3-stearoyl-glycerol
9-Octadecenoic acid 1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester
a-Stearo-b-oleopalmitin
Glycerol 1-hexadecanoate 3-octadecanoate 2-(9Z-octadecenoate)
Glyceryltrioleate,tech
TAG(16:0/18:1/18:0)
TAG(52:1)
TG(16:0/18:1/18:0)
TG(52:1)
Tracylglycerol(16:0/18:1/18:0)
Tracylglycerol(52:1)
C55H104O6
861.4107
860.78329106
1-(hexadecanoyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
1-(hexadecanoyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
2190-27-4
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26-
QXPXMOHHFYONAC-SGEDCAFJSA-N
belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
Triacylglycerols
Organic compounds
Lipids and lipid-like molecules
Glycerolipids
Triradylcglycerols
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acid esters
Fatty acid esters
Hydrocarbon derivatives
Organic oxides
Tricarboxylic acids and derivatives
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Fatty acyl
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Triacyl-sn-glycerol
Tricarboxylic acid or derivatives
Solid
logp
10.71
logs
-7.89
solubility
1.10e-05 g/l
melting_point
Mp 37-38° (racemate)
logp
20.34
pka_strongest_basic
-6.6
iupac
1-(hexadecanoyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
average_mass
861.4107
mono_mass
860.78329106
smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
formula
C55H104O6
inchi
InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26-
inchikey
QXPXMOHHFYONAC-SGEDCAFJSA-N
polar_surface_area
78.9
refractivity
260.81
polarizability
116.75
rotatable_bond_count
53
acceptor_count
3
donor_count
0
physiological_charge
0
formal_charge
0
HMDB44110
Cocoa and cocoa products
Unknown
generic
Cocoa bean
Type 1
specific
Theobroma cacao
3641
Fats and oils
Unknown
generic
2-acylglycerol O-acyltransferase 1
Q96PD6
MOGAT1
2-acylglycerol O-acyltransferase 2
Q3SYC2
MOGAT2
2-acylglycerol O-acyltransferase 3
Q86VF5
MOGAT3
Apolipoprotein A-I
P02647
APOA1
Apolipoprotein B-100
P04114
APOB
Apolipoprotein E
P02649
APOE
Carnitine O-palmitoyltransferase 1, liver isoform
P50416
CPT1A
Carnitine O-palmitoyltransferase 1, muscle isoform
Q92523
CPT1B
Carnitine O-palmitoyltransferase 2, mitochondrial
P23786
CPT2
Diacylglycerol O-acyltransferase 1
O75907
DGAT1
Diacylglycerol O-acyltransferase 2
Q96PD7
DGAT2
Endothelial lipase
Q9Y5X9
LIPG
Gastric triacylglycerol lipase
P07098
LIPF
Hepatic triacylglycerol lipase
P11150
LIPC
Inactive pancreatic lipase-related protein 1
P54315
PNLIPRP1
Lipoprotein lipase
P06858
LPL
Liver carboxylesterase 1
P23141
CES1
Lysosomal acid lipase/cholesteryl ester hydrolase
P38571
LIPA
Monoglyceride lipase
Q99685
MGLL
Pancreatic lipase-related protein 2
P54317
PNLIPRP2
Pancreatic triacylglycerol lipase
P16233
PNLIP
Patatin-like phospholipase domain-containing protein 3
Q9NST1
PNPLA3
Patatin-like phospholipase domain-containing protein 4
P41247
PNPLA4
Protein disulfide-isomerase
P07237
P4HB