KEGG   COMPOUND: C12319
Entry
C12319                      Compound                               

Name
dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose
Formula
C17H27N3O13P2
Exact mass
543.1019
Mol weight
543.3561
Structure
Reaction
Pathway
map01055  Biosynthesis of vancomycin group antibiotics
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
5.1.3.-
Other DBs
PubChem: 582709
ChEBI: 32331
PDB-CCD: JHZ[PDBj]
3DMET: B05628
NIKKAJI: J2.781.730K
KCF data

ATOM        35
            1   N4y N    33.8205  -20.4080
            2   C8y C    32.6318  -19.7029
            3   C8x C    35.0267  -19.7029
            4   N4x N    32.6318  -18.3161
            5   O5x O    31.4432  -20.3847
            6   C8y C    35.0267  -18.3161
            7   C8y C    33.8205  -17.6228
            8   C1a C    36.2036  -17.6228
            9   O5x O    33.8205  -16.2593
            10  C1y C    33.2480  -21.9974
            11  O2x O    32.1603  -21.2037
            12  C1x C    32.8362  -23.3783
            13  C1y C    31.0113  -22.0441
            14  C1y C    31.4309  -23.3783
            15  C1b C    29.6757  -21.6057
            16  O1a O    30.6034  -24.5040
            17  O2b O    28.6314  -22.5451
            18  P1b P    27.2320  -22.5451
            19  O2c O    25.8322  -22.5451
            20  O1c O    27.2261  -23.9447
            21  O1c O    27.2261  -21.1454
            22  P1b P    24.4266  -22.5451
            23  O2b O    23.0272  -22.5451
            24  O1c O    24.4209  -23.9447
            25  O1c O    24.4209  -21.1454
            26  C1y C    21.8372  -23.2269
            27  C1x C    21.8256  -24.6089
            28  O2x O    20.6473  -22.5393
            29  C1z C    20.6240  -25.2977
            30  C1y C    19.4528  -23.2093
            31  C5x C    19.4411  -24.5914
            32  N1a N    21.7671  -26.4440
            33  C1a C    18.2688  -22.5277
            34  O5x O    18.2223  -25.2803
            35  C1a C    20.0045  -26.3697
BOND        37
            1     2   5 2
            2     3   6 2
            3     4   7 1
            4     6   8 1
            5     7   9 2
            6     6   7 1
            7    10   1 1 #Up
            8     1   2 1
            9     1   3 1
            10   10  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1 #Up
            15   14  16 1 #Down
            16   15  17 1
            17   17  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25   26  23 1 #Down
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30   29  31 1
            31   29  32 1 #Down
            32   30  33 1 #Up
            33   31  34 2
            34   13  14 1
            35   30  31 1
            36    2   4 1
            37   29  35 1 #Up

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