KEGG   COMPOUND: C04580Help
Entry
C04580                      Compound                               

Name
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid
Formula
C11H17NO8
Exact mass
291.0954
Mol weight
291.2546
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 24967-27-9
PubChem: 7181
ChEBI: 28062
ChEMBL: CHEMBL96712
PDB-CCD: DAN[PDBj]
NIKKAJI: J534.549I
KCF data Show

ATOM        20
            1   C2x C    14.4900  -17.4300
            2   C1y C    14.4900  -18.8300
            3   C1y C    15.7024  -19.5300
            4   C1y C    16.9149  -18.8300
            5   O2x O    16.9149  -17.4300
            6   C2y C    15.7024  -16.7300
            7   C6a C    15.7024  -15.3302
            8   O6a O    14.4732  -14.6203
            9   O6a O    16.8980  -14.6398
            10  N1b N    15.7024  -20.9298
            11  O1a O    13.2776  -19.5300
            12  C1c C    18.1460  -19.5410
            13  C5a C    14.4732  -21.6397
            14  O5a O    13.2692  -20.9446
            15  C1a C    14.4734  -23.0299
            16  C1c C    19.3512  -18.8453
            17  C1b C    20.5335  -19.5281
            18  O1a O    21.7275  -18.8388
            19  O1a O    19.3516  -17.4304
            20  O1a O    18.1457  -20.9299
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     6   7 1
            8     7   8 2
            9     7   9 1
            10    3  10 1 #Down
            11    2  11 1 #Up
            12    4  12 1
            13   10  13 1
            14   13  14 2
            15   13  15 1
            16   12  16 1
            17   16  17 1
            18   17  18 1
            19   16  19 1 #Down
            20   12  20 1 #Up

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