1.0
2019-08-07 20:09:41 UTC
2020-04-06 23:39:27 UTC
FDB035055
TG(i-19:0/a-25:0/i-17:0)
C64H124O6
989.69
988.939791713
(2S)-1-[(15-methylhexadecanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 22-methyltetracosanoate
(2S)-1-[(15-methylhexadecanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 22-methyltetracosanoate
[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI=1S/C64H124O6/c1-7-60(6)52-46-40-34-28-22-16-12-10-8-9-11-13-17-24-31-37-43-49-55-64(67)70-61(57-69-63(66)54-48-42-36-30-25-19-21-27-33-39-45-51-59(4)5)56-68-62(65)53-47-41-35-29-23-18-14-15-20-26-32-38-44-50-58(2)3/h58-61H,7-57H2,1-6H3/t60?,61-/m0/s1
DQFGLOSAIFHKJB-FPQJXDIVSA-N
logp
10.41
logs
-7.96
solubility
1.10e-05 g/l
logp
24.23
pka_strongest_basic
-6.6
iupac
(2S)-1-[(15-methylhexadecanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 22-methyltetracosanoate
average_mass
989.69
mono_mass
988.939791713
smiles
[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
formula
C64H124O6
inchi
InChI=1S/C64H124O6/c1-7-60(6)52-46-40-34-28-22-16-12-10-8-9-11-13-17-24-31-37-43-49-55-64(67)70-61(57-69-63(66)54-48-42-36-30-25-19-21-27-33-39-45-51-59(4)5)56-68-62(65)53-47-41-35-29-23-18-14-15-20-26-32-38-44-50-58(2)3/h58-61H,7-57H2,1-6H3/t60?,61-/m0/s1
inchikey
DQFGLOSAIFHKJB-FPQJXDIVSA-N
polar_surface_area
78.9
refractivity
300.95
polarizability
136.17
rotatable_bond_count
60
acceptor_count
3
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
210447
Specdb::MsMs
668488
Specdb::MsMs
668489
Specdb::MsMs
668490
Specdb::MsMs
963964
Specdb::MsMs
963965
Specdb::MsMs
963966
Specdb::MsMs
2275725
Specdb::MsMs
2275726
Specdb::MsMs
2275727
Specdb::MsMs
2672876
Specdb::MsMs
2672877
Specdb::MsMs
2672878
Specdb::MsMs
2748952
Specdb::MsMs
2748953
Specdb::MsMs
2748954
Specdb::MsMs
3028101
Specdb::MsMs
3028102
Specdb::MsMs
3028103
Specdb::MsMs
3032810
Specdb::MsMs
3032811
Specdb::MsMs
3032812
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823