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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
9-cis-Lutein
|
568.90
|
11
|
2
|
2
|
40.46
|
10
|
|
|
9a(2)-cis-Lutein
|
568.90
|
11
|
2
|
2
|
40.46
|
10
|
|
|
1-Hydroxy-3-methoxy-7-primeverosyloxyxanthone
|
552.50
|
-1.1
|
7
|
14
|
217.97
|
6
|
|
|
Neocuscutoside C
|
694.60
|
-1.6
|
7
|
17
|
233.91
|
8
|
|
|
1,1-Dihydroxypropan-2-one
|
90.08
|
-1.3
|
2
|
3
|
57.53
|
1
|
|
|
4-Penten-1-OL
|
86.13
|
1
|
1
|
1
|
20.23
|
3
|
|
|
[(2R)-1-hexadecanoyloxy-3-octadecanoyloxypropan-2-yl] icosanoate
|
891.50
|
25.2
|
0
|
6
|
78.9
|
56
|
|
|
[(2R)-1-hexadecanoyloxy-3-octadecanoyloxypropan-2-yl] docosanoate
|
919.50
|
26.3
|
0
|
6
|
78.9
|
58
|
|
|
(2S)-2-amino-3-[[(2R)-2,3-bis[[(Z)-octadec-11-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
|
788.00
|
10.2
|
3
|
11
|
181.49
|
42
|
|
|
(2S)-2-amino-3-[hydroxy-[(2R)-3-octadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
|
790.10
|
11.1
|
3
|
11
|
181.49
|
43
|
|
|
(2S)-2-amino-3-[hydroxy-[(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
|
788.00
|
10.2
|
3
|
11
|
181.49
|
42
|
|
|
(2S)-2-amino-3-[[(2R)-2-[(Z)-docos-13-enoyl]oxy-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
|
818.10
|
12.2
|
3
|
11
|
181.49
|
45
|
|
|
(2S)-2-amino-3-[[(2R)-2-[(Z)-docos-13-enoyl]oxy-3-octadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
|
846.20
|
13.3
|
3
|
11
|
181.49
|
47
|
|
|
PS(18:1(11Z)/18:2(9Z,12Z))
|
786.00
|
9.5
|
3
|
11
|
181.49
|
41
|
|
|
PS(18:1(11Z)/18:3(6Z,9Z,12Z))
|
784.00
|
8.8
|
3
|
11
|
181.49
|
40
|
|
|
PS(18:1(11Z)/18:3(9Z,12Z,15Z))
|
784.00
|
8.8
|
3
|
11
|
181.49
|
40
|
|
|
2-Amino-3-({hydroxy[2-(icosanoyloxy)-3-[octadec-11-enoyloxy]propoxy]phosphoryl}oxy)propanoic acid
|
818.10
|
12.2
|
3
|
11
|
181.49
|
45
|
|
|
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(Z)-icos-11-enoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
|
816.10
|
11.3
|
3
|
11
|
181.49
|
44
|
|
|
(2S)-2-amino-3-[[(2R)-2-docosanoyloxy-3-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
|
846.20
|
13.3
|
3
|
11
|
181.49
|
47
|
|
|
(2S)-2-amino-3-[[(2R)-2-[(Z)-docos-13-enoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
|
844.10
|
12.4
|
3
|
11
|
181.49
|
46
|
|
|
(2S)-2-amino-3-[[(2R)-2-[(Z)-docos-13-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
|
844.10
|
12.4
|
3
|
11
|
181.49
|
46
|
|
|
PS(18:2(9Z,12Z)/22:1(13Z))
|
842.10
|
11.7
|
3
|
11
|
181.49
|
45
|
|
|
PS(18:3(6Z,9Z,12Z)/22:1(13Z))
|
840.10
|
11
|
3
|
11
|
181.49
|
44
|
|
|
PS(18:3(9Z,12Z,15Z)/22:1(13Z))
|
840.10
|
11
|
3
|
11
|
181.49
|
44
|
|
|
(2S)-2-amino-3-[[(2R)-2-[(Z)-docos-13-enoyl]oxy-3-icosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
|
874.20
|
14.4
|
3
|
11
|
181.49
|
49
|
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