KEGG   COMPOUND: C12471Help
Entry
C12471                      Compound                               

Name
Chlorobiocic acid
Formula
C21H18ClNO6
Exact mass
415.0823
Mol weight
415.8237
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00401  Novobiocin biosynthesis
map01130  Biosynthesis of antibiotics
Other DBs
CAS: 114515-20-7
PubChem: 582861
ChEBI: 31395
NIKKAJI: J2.783.682H
KCF data Show

ATOM        29
            1   C5a C    26.8462  -15.4261
            2   C8y C    28.0518  -16.1301
            3   O5a O    26.8462  -14.0310
            4   C8x C    28.0575  -17.5311
            5   C8x C    29.2583  -15.4318
            6   C8y C    29.2641  -18.2281
            7   C8x C    30.4696  -16.1243
            8   C8y C    30.4755  -17.5253
            9   C1b C    29.2641  -19.6220
            10  O1a O    31.6808  -18.2094
            11  C2b C    30.4755  -20.3260
            12  C2c C    30.4755  -21.7212
            13  C1a C    31.6808  -22.4181
            14  C1a C    29.2641  -22.4181
            15  N1b N    25.6200  -16.1350
            16  C8y C    21.8765  -14.1452
            17  C8y C    21.8765  -15.5298
            18  C8y C    20.6803  -13.4623
            19  O7x O    23.0783  -13.4449
            20  C8y C    23.0842  -16.2255
            21  C8x C    20.6803  -16.2312
            22  C8y C    19.4903  -14.1452
            23  X   Cl   20.6746  -12.0952
            24  C8y C    24.2930  -14.1335
            25  C8y C    24.3046  -15.5355
            26  O1a O    23.0842  -17.5983
            27  C8x C    19.4903  -15.5298
            28  O1a O    18.3129  -13.4682
            29  O6a O    25.4773  -13.4507
BOND        31
            1     1  15 1
            2     1   2 1
            3     1   3 2
            4     2   4 1
            5     2   5 2
            6     4   6 2
            7     5   7 1
            8     6   8 1
            9     6   9 1
            10    8  10 1
            11    9  11 1
            12   11  12 2
            13   12  13 1
            14   12  14 1
            15    7   8 2
            16   16  17 2
            17   16  18 1
            18   16  19 1
            19   17  20 1
            20   17  21 1
            21   18  22 2
            22   18  23 1
            23   19  24 1
            24   20  25 2
            25   20  26 1
            26   21  27 2
            27   22  28 1
            28   24  29 2
            29   25  15 1
            30   22  27 1
            31   24  25 1

» Japanese version

DBGET integrated database retrieval system