COMPOUND: C04873
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Entry
C04873 Compound
Name
1-Hexadecylthio-2-hexadecanoylamino-1,2-dideoxy-sn-glycero-3-phosphocholine
Formula
C40H84N2O5PS
Exact mass
735.5839
Mol weight
736.1441
Structure
Mol file
KCF file
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Other DBs
PubChem:
7425
ChEBI:
27712
NIKKAJI:
J562.285I
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KCF data
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ATOM 49
1 C1c C 27.1600 -19.6000
2 C1b C 27.1600 -21.0000
3 N1b N 28.3500 -18.9000
4 O2b O 28.3500 -21.7000
5 C5a C 29.5400 -19.6000
6 P1b P 28.3500 -23.0300
7 C1b C 30.7300 -18.9000
8 O2b O 29.7500 -23.0300
9 O1c O 26.9500 -23.0300
10 O1c O 28.3500 -24.4300
11 C1b C 31.9200 -19.6000
12 C1b C 30.3800 -24.2200
13 C1b C 33.1100 -18.9000
14 C1b C 31.9200 -24.2200
15 C1b C 34.3000 -19.6000
16 N1d N 32.6200 -25.5500 #+
17 C1b C 35.4900 -18.9000
18 C1a C 33.4600 -27.1600
19 C1a C 31.6400 -27.1600
20 C1a C 34.3000 -25.5500
21 C1b C 36.6800 -19.6000
22 C1b C 37.8700 -18.9000
23 C1b C 37.8700 -17.5700
24 C1b C 36.6800 -16.8700
25 C1b C 35.4900 -17.5700
26 C1b C 34.3000 -16.8700
27 C1b C 33.1100 -17.5700
28 C1b C 31.9200 -16.8700
29 C1b C 30.7300 -17.5700
30 C1a C 29.5400 -16.8700
31 C1b C 25.9700 -18.9000
32 S2a S 25.9700 -17.5000
33 C1b C 24.7800 -16.8000
34 C1b C 23.5900 -17.5000
35 C1b C 22.4000 -16.8000
36 C1b C 21.2100 -17.5000
37 C1b C 20.0200 -16.8000
38 C1b C 18.8300 -17.5000
39 C1b C 17.6400 -16.8000
40 C1b C 17.6400 -15.4700
41 C1b C 18.8300 -14.7700
42 C1b C 20.0200 -15.4700
43 C1b C 21.2100 -14.7700
44 C1b C 22.4000 -15.4700
45 C1b C 23.5900 -14.7700
46 C1b C 24.7800 -15.4700
47 C1b C 25.9700 -14.7700
48 C1a C 27.1600 -15.4700
49 O5a O 29.5400 -21.0000
BOND 48
1 1 2 1
2 1 3 1 #Up
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 6 8 1
8 6 9 1
9 6 10 2
10 7 11 1
11 8 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 16 18 1
18 16 19 1
19 16 20 1
20 17 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 1 31 1
31 31 32 1
32 32 33 1
33 33 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 38 39 1
39 39 40 1
40 40 41 1
41 41 42 1
42 42 43 1
43 43 44 1
44 44 45 1
45 45 46 1
46 46 47 1
47 47 48 1
48 5 49 2
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