COMPOUND: C04521
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Entry
C04521 Compound
Name
2,7-Anhydro-alpha-N-acetylneuraminic acid
Formula
C11H17NO8
Exact mass
291.0954
Mol weight
291.2546
Structure
Mol file
KCF file
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Other DBs
PubChem:
7133
ChEBI:
181917
28695
NIKKAJI:
J384.431E
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KCF data
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ATOM 20
1 C1z C 27.1163 -16.1354
2 O2x O 27.6642 -14.3935
3 O2x O 28.2063 -15.5066
4 C1x C 27.1163 -17.4042
5 C6a C 25.9437 -15.4202
6 C1y C 30.2250 -14.3878
7 C1y C 29.3079 -16.1354
8 C1y C 28.2063 -18.0445
9 O6a O 25.9373 -14.1685
10 O6a O 24.8711 -16.0027
11 C1c C 30.2250 -13.0605
12 C1y C 29.3079 -17.4042
13 O1a O 28.2006 -19.3019
14 C1b C 31.1191 -12.1780
15 O1a O 28.9734 -13.1246
16 O1a O 32.3302 -12.5067
17 N1b N 30.5492 -18.1181
18 C5a C 31.7324 -17.4300
19 C1a C 32.9449 -18.1300
20 O5a O 31.7302 -16.0301
BOND 21
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 1
11 7 12 1
12 8 13 1 #Up
13 11 14 1
14 11 15 1
15 14 16 1
16 7 6 1 #Up
17 8 12 1
18 12 17 1 #Down
19 17 18 1
20 18 19 1
21 18 20 2
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