COMPOUND: C00470
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Entry
C00470 Compound
Name
Pectate;
Pectic acid;
alpha-D-Polygalacturonic acid;
Poly(1,4-alpha-D-galacturonate);
Poly(1,4-alpha-D-galacturonate)(n);
(1,4-alpha-D-Galacturonide)n;
[(1->4)-alpha-D-Galacturonosyl]n;
De-esterified pectin;
(1,4-alpha-D-Galacturonosyl)n
Formula
C12H18O13(C6H8O6)n-2
Structure
Mol file
KCF file
DB search
Remark
Same as:
G10506
Reaction
R01982
R02360
R02361
R02362
R04320
R04343
R08694
Pathway
map00040
Pentose and glucuronate interconversions
map01100
Metabolic pathways
map02010
ABC transporters
Module
M00081
Pectin degradation
Enzyme
2.4.1.43
3.1.1.11
3.2.1.15
3.2.1.67
3.2.1.82
4.2.2.2
4.2.2.9
Other DBs
PubChem:
3753
ChEBI:
15446
68837
LinkDB
All DBs
KCF data
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ATOM 37
1 C1y C 33.0400 -17.5000
2 C1y C 33.0400 -18.9000
3 C1y C 34.2524 -19.6000
4 C1y C 35.4649 -18.9000
5 C1y C 35.4649 -17.5000
6 O2x O 34.2524 -16.8000
7 O1a O 36.6773 -16.8000
8 O1a O 36.6773 -19.6000
9 C6a C 31.8276 -16.8000
10 O2a O 31.8276 -19.6000
11 O1a O 34.2524 -21.0000
12 C1y C 29.2151 -20.5100
13 O2x O 27.9840 -19.7990
14 C1y C 26.7715 -20.4988
15 C1y C 26.7713 -21.8988
16 C1y C 28.0024 -22.6098
17 C1y C 29.2149 -21.9100
18 C6a C 25.5590 -19.7988
19 O2a O 25.5588 -22.5988
20 O1a O 28.0024 -24.0098
21 O1a O 30.2874 -22.8900
22 C1y C 22.5264 -23.8588
23 O2x O 21.3290 -23.1675
24 C1y C 20.1166 -23.8676
25 C1y C 20.1166 -25.2676
26 C1y C 21.3140 -25.9588
27 C1y C 22.5264 -25.2588
28 O1a O 23.7389 -25.9588
29 C6a C 18.9041 -23.1676
30 O1a O 18.9042 -25.9676
31 O1a O 21.3140 -27.3588
32 O6a O 31.8276 -15.4000
33 O6a O 30.6151 -17.5000
34 O6a O 25.5590 -18.3988
35 O6a O 24.3466 -20.4988
36 O6a O 18.9041 -21.7676
37 O6a O 17.6917 -23.8676
BOND 39
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1 #Either
8 4 8 1 #Down
9 1 9 1 #Up
10 2 10 1 #Up
11 3 11 1 #Up
12 12 10 1 #Down
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 12 17 1
19 14 18 1 #Up
20 15 19 1 #Up
21 16 20 1 #Up
22 17 21 1 #Down
23 22 19 1 #Down
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 22 27 1
30 27 28 1 #Down
31 24 29 1 #Up
32 25 30 1 #Up
33 26 31 1 #Up
34 9 32 1
35 9 33 2
36 18 34 1
37 18 35 2
38 29 36 1
39 29 37 2
BRACKET 1 24.0100 -24.0800 24.0100 -21.4200
1 30.5900 -19.1800 30.5900 -21.7700
1 n-2
ORIGINAL 1 12 13 14 15 16 17 18 19 20 21 34 35
REPEAT 1
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