KEGG   COMPOUND: C12322
Entry
C12322                      Compound                               

Name
dTDP-L-vancosamine;
dTDP-beta-L-vancosamine
Formula
C17H29N3O13P2
Exact mass
545.1176
Mol weight
545.372
Structure
Reaction
Pathway
map01055  Biosynthesis of vancomycin group antibiotics
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 582712
ChEBI: 32336
3DMET: B05631
NIKKAJI: J2.781.745I
LinkDB
KCF data

ATOM        35
            1   N4y N    28.7386  -15.2173
            2   C8y C    27.5498  -14.5121
            3   C8x C    29.9447  -14.5121
            4   N4x N    27.5498  -13.1254
            5   O5x O    26.3613  -15.1940
            6   C8y C    29.9447  -13.1254
            7   C8y C    28.7386  -12.4321
            8   C1a C    31.1216  -12.4321
            9   O5x O    28.7386  -11.0686
            10  C1y C    28.1661  -16.8066
            11  O2x O    27.0786  -16.0130
            12  C1x C    27.7545  -18.1875
            13  C1y C    25.9294  -16.8533
            14  C1y C    26.3489  -18.1875
            15  C1b C    24.5938  -16.4150
            16  O1a O    25.5215  -19.3134
            17  O2b O    23.5497  -17.3543
            18  P1b P    22.1501  -17.3543
            19  O2c O    20.7503  -17.3543
            20  O1c O    22.1442  -18.7541
            21  O1c O    22.1442  -15.9547
            22  P1b P    19.3450  -17.3543
            23  O2b O    17.9453  -17.3543
            24  O1c O    19.3392  -18.7541
            25  O1c O    19.3392  -15.9547
            26  C1y C    16.7554  -18.0361
            27  C1x C    16.7438  -19.4183
            28  O2x O    15.5657  -17.3485
            29  C1z C    15.5424  -20.1069
            30  C1y C    14.3712  -18.0185
            31  C1y C    14.3595  -19.4007
            32  N1a N    16.6853  -21.2532
            33  C1a C    13.1870  -17.3369
            34  O1a O    13.1406  -20.0895
            35  C1a C    14.9227  -21.1789
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 #Down
            33   31  34 1 #Down
            34   13  14 1
            35   30  31 1
            36    2   4 1
            37   29  35 1 #Up

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