COMPOUND: C16567
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Entry
C16567 Compound
Name
Homotrypanothione;
N1,N9-Bis(glutathionyl)aminopropylcadaverine
Formula
C28H51N9O10S2
Exact mass
737.3200
Mol weight
737.89
Structure
Mol file
KCF file
DB search
Reaction
R08351
R08355
R08357
Pathway
map00480
Glutathione metabolism
Enzyme
1.8.1.12
3.5.1.-
6.3.1.9
Other DBs
PubChem:
51090896
ChEBI:
80572
NIKKAJI:
J2.803.729E
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All DBs
KCF data
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ATOM 49
1 C1c C 28.7218 -18.1879
2 N1b N 27.5063 -18.8863
3 C5a C 28.7218 -16.7850
4 C1b C 29.9361 -18.8863
5 C5a C 26.2977 -18.1879
6 N1b N 29.9361 -16.0866
7 O5a O 27.5063 -16.0866
8 S1a S 31.1460 -18.1879
9 C1b C 25.0820 -18.8863
10 O5a O 26.2977 -16.7850
11 C1b C 31.1460 -16.7850
12 C1b C 23.8735 -18.1879
13 C5a C 32.3603 -16.0866
14 C1c C 22.6578 -18.8863
15 N1b N 33.5703 -16.7850
16 O5a O 32.3603 -14.6837
17 C6a C 21.4433 -18.1879
18 N1a N 22.6578 -20.2833
19 C1b C 34.7846 -16.0866
20 O6a O 20.2407 -18.8863
21 O6a O 21.4433 -16.7850
22 S1a S 31.1500 -21.0000
23 C1b C 29.9600 -20.3000
24 C1c C 28.7000 -21.0000
25 N1b N 27.5100 -20.3000
26 C5a C 28.7000 -22.4000
27 C5a C 26.3200 -21.0000
28 N1b N 29.9600 -23.1000
29 O5a O 27.5100 -23.1000
30 C1b C 26.3200 -22.4000
31 O5a O 25.0600 -20.3000
32 C1b C 31.1500 -22.4000
33 C1b C 37.1700 -18.9000
34 C1b C 25.0600 -23.1000
35 C5a C 32.3400 -23.1000
36 N1b N 37.1700 -20.3000
37 C1c C 25.0600 -24.5000
38 N1b N 33.6000 -22.4000
39 O5a O 32.3400 -24.5000
40 C1b C 35.9800 -21.0000
41 C6a C 23.8700 -25.2000
42 N1a N 26.3200 -25.2000
43 C1b C 34.7900 -23.1000
44 C1b C 35.9800 -22.4000
45 O6a O 22.6800 -24.5000
46 O6a O 23.8700 -26.6000
47 C1b C 35.9800 -16.8000
48 C1b C 37.3100 -16.3800
49 C1b C 38.2200 -17.9900
BOND 48
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 1
11 9 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 13 16 2
16 14 17 1
17 14 18 1 #Down
18 15 19 1
19 17 20 1
20 17 21 2
21 22 23 1
22 23 24 1
23 24 25 1 #Up
24 24 26 1
25 25 27 1
26 26 28 1
27 26 29 2
28 27 30 1
29 27 31 2
30 28 32 1
31 30 34 1
32 32 35 1
33 33 36 1
34 34 37 1
35 35 38 1
36 35 39 2
37 36 40 1
38 37 41 1
39 37 42 1 #Down
40 38 43 1
41 40 44 1
42 41 45 1
43 41 46 2
44 43 44 1
45 48 47 1
46 33 49 1
47 48 49 1
48 19 47 1
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