COMPOUND: C16563
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Entry
C16563 Compound
Name
Bis(glutathionyl)spermine;
N1,N12-Bis(glutathionyl)spermine
Formula
C30H56N10O10S2
Exact mass
780.3622
Mol weight
780.96
Structure
Mol file
KCF file
DB search
Reaction
R08353
R08356
Pathway
map00480
Glutathione metabolism
Enzyme
1.8.1.12
6.3.1.9
Other DBs
PubChem:
51090892
ChEBI:
80569
NIKKAJI:
J1.941.269E
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All DBs
KCF data
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ATOM 52
1 C1c C 26.8318 -16.7879
2 N1b N 25.6163 -17.4863
3 C5a C 26.8318 -15.3850
4 C1b C 28.0461 -17.4863
5 C5a C 24.4077 -16.7879
6 N1b N 28.0461 -14.6866
7 O5a O 25.6163 -14.6866
8 S1a S 29.2560 -16.7879
9 C1b C 23.1920 -17.4863
10 O5a O 24.4077 -15.3850
11 C1b C 29.2560 -15.3850
12 C1b C 21.9835 -16.7879
13 C5a C 30.4703 -14.6866
14 C1c C 20.7678 -17.4863
15 N1b N 31.6803 -15.3850
16 O5a O 30.4703 -13.2837
17 C6a C 19.5533 -16.7879
18 N1a N 20.7678 -18.8833
19 C1b C 32.8946 -14.6866
20 O6a O 18.3507 -17.4863
21 O6a O 19.5533 -15.3850
22 C1b C 34.1101 -15.3850
23 C1b C 35.2996 -14.6950
24 N1b N 36.5007 -15.3854
25 C1b C 36.5037 -16.7996
26 C1b C 37.6922 -17.4828
27 C1b C 37.6253 -18.8996
28 C1b C 36.5104 -19.5874
29 S1a S 29.2560 -19.5816
30 C1b C 28.0461 -18.8833
31 C1c C 26.8318 -19.5816
32 N1b N 25.6163 -18.8833
33 C5a C 26.8318 -20.9845
34 C5a C 24.4077 -19.5816
35 N1b N 28.0461 -21.6829
36 O5a O 25.6163 -21.6829
37 C1b C 24.4077 -20.9845
38 O5a O 23.1920 -18.8833
39 C1b C 29.2560 -20.9845
40 C1b C 23.1920 -21.6829
41 C5a C 30.4703 -21.6829
42 N1b N 35.3129 -18.8833
43 C1c C 23.1920 -23.0916
44 N1b N 31.6803 -20.9845
45 O5a O 30.4703 -23.0916
46 C1b C 34.1101 -19.5816
47 C6a C 21.9835 -23.7901
48 N1a N 24.4077 -23.7901
49 C1b C 32.8946 -21.6829
50 C1b C 34.1101 -20.9845
51 O6a O 20.7678 -23.0916
52 O6a O 21.9835 -25.1871
BOND 51
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 19 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 29 30 1
29 30 31 1
30 31 32 1 #Up
31 31 33 1
32 32 34 1
33 33 35 1
34 33 36 2
35 34 37 1
36 34 38 2
37 35 39 1
38 37 40 1
39 39 41 1
40 40 43 1
41 41 44 1
42 41 45 2
43 42 46 1
44 43 47 1
45 43 48 1 #Down
46 44 49 1
47 46 50 1
48 47 51 1
49 47 52 2
50 49 50 1
51 28 42 1
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