KEGG   COMPOUND: C21330Help
Entry
C21330                      Compound                               

Name
Aurachin C
Formula
C25H33NO2
Exact mass
379.2511
Mol weight
379.535
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00998  Biosynthesis of secondary metabolites - other antibiotics
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00848  Aurachin biosynthesis, anthranilate => aurachin A
Enzyme
1.14.13.222     1.14.13.-
Other DBs
CAS: 108354-14-9
PubChem: 319075054
ChEMBL: CHEMBL572434
PDB-CCD: AUK[PDBj]
KCF data Show

ATOM        28
            1   C8x C     9.8000  -12.1800
            2   C8x C     9.8000  -13.5800
            3   C8x C    11.0124  -14.2800
            4   C8y C    12.2249  -13.5800
            5   C8y C    12.2249  -12.1800
            6   C8x C    11.0124  -11.4800
            7   N4y N    13.4373  -14.2800
            8   C8y C    14.6497  -13.5800
            9   C8y C    14.6497  -12.1800
            10  C8y C    13.4373  -11.4800
            11  O5x O    13.4373  -10.0800
            12  O1b O    13.4373  -15.6800
            13  C1a C    15.8473  -14.2715
            14  C1b C    15.8424  -11.4800
            15  C2b C    17.0549  -12.1800
            16  C2c C    18.2673  -11.4800
            17  C1b C    19.4797  -12.1800
            18  C1b C    20.6922  -11.4800
            19  C2b C    21.9046  -12.1800
            20  C2c C    23.1170  -11.4800
            21  C1b C    24.3295  -12.1800
            22  C1b C    25.5419  -11.4800
            23  C2b C    26.7544  -12.1800
            24  C1a C    18.2673  -10.0800
            25  C1a C    23.1170  -10.0800
            26  C2c C    27.9560  -11.4862
            27  C1a C    29.1462  -12.1734
            28  C1a C    27.9561  -10.0802
BOND        29
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12   10  11 2
            13    7  12 1
            14    8  13 1
            15    9  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   16  24 1
            26   20  25 1
            27   23  26 2
            28   26  27 1
            29   26  28 1

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