COMPOUND: C04631
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Entry
C04631 Compound
Name
UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;
UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;
UDP-N-acetylglucosamine-3-O-pyruvateether;
UDP-N-acetylglucosamine enolpyruvate;
UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine
Formula
C20H29N3O19P2
Exact mass
677.087
Mol weight
677.4005
Structure
Mol file
KCF file
DB search
Reaction
R00660
R03191
R03192
Pathway
map00520
Amino sugar and nucleotide sugar metabolism
map00550
Peptidoglycan biosynthesis
map01100
Metabolic pathways
map01250
Biosynthesis of nucleotide sugars
Enzyme
1.3.1.98
2.5.1.7
Other DBs
CAS:
70222-94-5
PubChem:
7220
ChEBI:
68507
KNApSAcK:
C00019554
PDB-CCD:
EPU
[
PDBj
]
3DMET:
B01767
NIKKAJI:
J711.509A
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All DBs
KCF data
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ATOM 44
1 C1y C 21.1624 -25.8942
2 C1y C 21.1624 -27.2705
3 O2x O 19.9676 -25.2186
4 O2b O 22.3386 -25.2124
5 C1y C 19.9676 -27.9650
6 N1b N 22.8704 -28.1840
7 C1y C 18.7852 -25.8942
8 P1b P 23.7024 -25.2186
9 C1y C 18.7852 -27.2705
10 O2a O 19.9676 -29.3226
11 C5a C 22.8392 -29.5853
12 C1b C 17.6091 -25.2186
13 O2c O 25.0600 -25.2186
14 O1c O 23.7024 -23.8548
15 O1c O 23.7024 -26.5762
16 O1a O 17.6091 -27.9461
17 C2c C 18.7852 -30.0044
18 C1a C 21.6942 -30.2234
19 O5a O 24.0527 -30.2172
20 O1a O 17.6091 -23.8548
21 P1b P 26.4238 -25.2186
22 C6a C 18.7852 -31.3620
23 C2a C 17.6091 -29.3226
24 O2b O 27.7877 -25.2186
25 O1c O 26.4238 -23.8548
26 O1c O 26.4176 -26.5762
27 O6a O 17.6091 -32.0376
28 O6a O 19.9676 -32.0376
29 C1b C 28.0755 -26.5512
30 C1y C 29.3706 -26.9641
31 O2x O 30.4591 -26.1758
32 C1y C 29.8084 -28.2591
33 C1y C 31.5727 -26.9891
34 C1y C 31.1723 -28.2591
35 O1a O 29.0138 -29.3663
36 N4y N 32.6362 -24.7806
37 O1a O 31.9729 -29.3663
38 C8y C 31.4662 -24.0738
39 C8x C 33.8373 -24.0738
40 N4x N 31.4662 -22.6973
41 O5x O 30.2839 -24.7494
42 C8x C 33.8373 -22.6973
43 C8y C 32.6424 -22.0217
44 O5x O 32.6424 -20.6579
BOND 46
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 7 12 1 #Up
12 8 13 1
13 8 14 1
14 8 15 2
15 9 16 1 #Down
16 10 17 1
17 11 18 1
18 11 19 2
19 12 20 1
20 13 21 1
21 17 22 1
22 17 23 2
23 21 24 1
24 21 25 1
25 21 26 2
26 22 27 1
27 22 28 2
28 24 29 1
29 30 29 1 #Up
30 30 31 1
31 30 32 1
32 31 33 1
33 32 34 1
34 32 35 1 #Down
35 33 36 1 #Up
36 34 37 1 #Down
37 36 38 1
38 36 39 1
39 38 40 1
40 38 41 2
41 39 42 2
42 40 43 1
43 43 44 2
44 7 9 1
45 33 34 1
46 42 43 1
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