Entry |
|
Name |
N-Acetylneuraminate;
N-Acetylneuraminic acid;
5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;
Neu5Ac
|
Formula |
C11H19NO9
|
Exact mass |
309.106
|
Mol weight |
309.2699
|
Structure |
|
Remark |
|
Comment |
Aceneuramate (open-chain) [CPD:C22382]
N-Acetyl-alpha-neuraminate [CPD:C19909]
N-Acetyl-beta-neuraminate [CPD:C19910]
|
Reaction |
R01117 R01803 R01804 R01805 R01806 R01807 R01808 R01810
R01811 R03491 R04018 R04634 R04650 R05115 R05117 R05996
R05998 R05999 R06012 R06147 R06253 R08600 R08601
|
Pathway |
map00520 | Amino sugar and nucleotide sugar metabolism |
map00541 | O-Antigen nucleotide sugar biosynthesis |
map01100 | Metabolic pathways |
map01250 | Biosynthesis of nucleotide sugars |
|
Module |
M00922 | CMP-Neu5Ac biosynthesis |
|
Enzyme |
1.14.18.2 2.3.1.44 2.3.1.45 2.5.1.56
2.7.7.43 3.1.1.53 3.1.3.29 3.2.1.18
4.1.3.3
|
Brite |
Compounds with biological roles [BR:br08001]
Carbohydrates
Monosaccharides
Amino sugars
C00270 N-Acetylneuraminic acid
|
Other DBs |
PDB-CCD: | SIA[PDBj] SLB[PDBj] |
|
KCF data |
ATOM 21
1 C1y C 24.2148 -21.4379
2 C1y C 24.2148 -22.8420
3 O2x O 25.4324 -20.7447
4 C1c C 22.9971 -20.7447
5 C1y C 25.4324 -23.5469
6 N1b N 22.9971 -23.5469
7 C1z C 26.6383 -21.4379
8 C1c C 23.0029 -19.3405
9 O1a O 21.7852 -21.4379
10 C1x C 26.6383 -22.8420
11 O1a O 25.4324 -24.9450
12 C5a C 23.0029 -24.9391
13 C6a C 27.6287 -20.4418
14 O1a O 27.9840 -21.7991
15 C1b C 21.7852 -18.6357
16 O1a O 24.2148 -18.6357
17 C1a C 21.7969 -25.6382
18 O5a O 24.2088 -25.6325
19 O6a O 28.9861 -20.7971
20 O6a O 27.2499 -19.0902
21 O1a O 21.7852 -17.2374
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 1 #Down
11 6 12 1
12 7 13 1 #Either
13 7 14 1
14 8 15 1
15 8 16 1 #Up
16 12 17 1
17 12 18 2
18 13 19 1
19 13 20 2
20 15 21 1
21 7 10 1
|