KEGG   COMPOUND: C16692Help
Entry
C16692                      Compound                               

Name
Mannopine
Formula
C11H22N2O8
Exact mass
310.1376
Mol weight
310.301
Structure
Mol fileKCF fileDB search
Pathway
map02010  ABC transporters
Other DBs
CAS: 87084-52-4
PubChem: 51091014
ChEBI: 80662
PDB-CCD: MO0[PDBj]
NIKKAJI: J690.468H
KCF data Show

ATOM        21
            1   N1a N     6.1600  -14.0700
            2   C5a C     7.3724  -13.3700
            3   C1b C     8.5849  -14.0700
            4   C1b C     9.7973  -13.3700
            5   C1c C    11.0097  -14.0700
            6   N1b N    12.2222  -13.3700
            7   C1b C    13.4346  -14.0700
            8   C1c C    14.6470  -13.3700
            9   C1c C    15.8595  -14.0700
            10  C1c C    17.0719  -13.3700
            11  C1c C    18.2844  -14.0700
            12  C1b C    19.4968  -13.3700
            13  O1a O    20.7092  -14.0700
            14  O5a O     7.3724  -11.9702
            15  C6a C    11.0097  -15.4699
            16  O1a O    15.8595  -15.4697
            17  O1a O    17.0719  -11.9700
            18  O1a O    14.6470  -11.9701
            19  O1a O    18.2844  -15.4699
            20  O6a O     9.7825  -16.1785
            21  O6a O    12.2074  -16.1614
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    2  14 2
            14    5  15 1 #Down
            15    9  16 1 #Down
            16   10  17 1 #Down
            17    8  18 1 #Up
            18   11  19 1 #Up
            19   15  20 2
            20   15  21 1

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