COMPOUND: C22069
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Entry
C22069 Compound
Name
N1-(3,4-Dihydroxybenzoyl)-N8,N'8-citryl-bis(spermidine)
Formula
C27H46N6O8
Exact mass
582.3377
Mol weight
582.69
Structure
Mol file
KCF file
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Reaction
R12599
R12600
R12601
Pathway
map01053
Biosynthesis of siderophore group nonribosomal peptides
Enzyme
6.3.2.-
Other DBs
PubChem:
405226297
ChEBI:
182946
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KCF data
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ATOM 41
1 C1b C 9.0186 -17.5878
2 C1b C 10.2163 -16.8833
3 C1b C 11.4846 -17.5878
4 N1b N 12.6824 -16.8833
5 C1b C 13.8801 -17.5878
6 C1b C 15.1484 -16.8833
7 C1b C 16.3461 -17.5878
8 C1b C 17.5439 -16.8833
9 N1b N 18.8122 -17.5878
10 C5a C 20.0099 -16.8833
11 C1b C 21.2077 -17.5878
12 C1d C 22.4759 -16.8833
13 C1b C 23.6737 -17.5878
14 C5a C 24.8715 -16.8833
15 N1b N 26.0693 -17.5878
16 N1b N 7.8208 -16.8833
17 O5a O 20.0099 -15.6150
18 O1a O 22.4759 -18.2924
19 C6a C 22.4759 -15.4741
20 O6a O 23.6737 -14.7695
21 O6a O 21.2782 -14.7695
22 O5a O 24.8715 -15.6150
23 C1b C 27.2671 -16.8833
24 C1b C 28.5353 -17.5878
25 C1b C 29.7331 -16.8833
26 C1b C 30.9308 -17.5878
27 N1b N 32.1991 -16.8833
28 C1b C 33.3969 -17.5878
29 C1b C 34.5946 -16.8833
30 C1b C 35.8629 -17.5878
31 N1a N 37.0607 -16.8833
32 C5a C 6.6230 -17.5878
33 C8y C 5.4252 -16.8833
34 O5a O 6.6230 -18.9970
35 C8x C 5.4252 -15.4741
36 C8y C 4.1570 -14.7695
37 C8y C 2.9592 -15.4741
38 C8x C 2.9592 -16.8833
39 C8x C 4.1570 -17.5878
40 O1a O 4.1570 -13.3604
41 O1a O 1.7614 -14.7695
BOND 41
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 1 16 1
16 10 17 2
17 12 18 1
18 12 19 1
19 19 20 2
20 19 21 1
21 14 22 2
22 15 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 30 31 1
31 16 32 1
32 32 33 1
33 32 34 2
34 33 35 2
35 35 36 1
36 36 37 2
37 37 38 1
38 38 39 2
39 33 39 1
40 36 40 1
41 37 41 1
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