COMPOUND: C06469
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Entry
C06469 Compound
Name
Neuraminic acid;
5-Amino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid
Formula
C9H17NO8
Exact mass
267.0954
Mol weight
267.2332
Structure
Mol file
KCF file
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Brite
Compounds with biological roles [BR:
br08001
]
Carbohydrates
Monosaccharides
Amino sugars
C06469 Neuraminic acid
BRITE hierarchy
Other DBs
CAS:
114-04-5
PubChem:
8701
ChEBI:
7539
3DMET:
B05202
NIKKAJI:
J247.825K
J79.635B
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KCF data
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ATOM 18
1 C1y C 24.5015 -16.1750
2 O2x O 25.7180 -15.4824
3 C1y C 24.5015 -17.5778
4 C1c C 23.2909 -15.4767
5 C1z C 26.9286 -16.1750
6 C1y C 25.7180 -18.2763
7 N1a N 23.2909 -18.2820
8 C1c C 23.2909 -14.0797
9 O1a O 22.0744 -16.1750
10 C1x C 26.9286 -17.5778
11 C6a C 27.9124 -15.1798
12 O1a O 28.2732 -16.5359
13 O1a O 25.7180 -19.6790
14 C1b C 22.0744 -13.3753
15 O1a O 24.5015 -13.3753
16 O6a O 29.2685 -15.5347
17 O6a O 27.5341 -13.8294
18 O1a O 22.0802 -11.9784
BOND 18
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 3 6 1
6 3 7 1 #Up
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 1 #Either
11 5 12 1
12 6 13 1 #Down
13 8 14 1
14 8 15 1 #Up
15 11 16 1
16 11 17 2
17 14 18 1
18 6 10 1
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