KEGG   COMPOUND: C12429Help
Entry
C12429                      Compound                               

Name
13-Deoxydaunorubicin;
Feudomycin A
Formula
C27H31NO9
Exact mass
513.1999
Mol weight
513.5363
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1305 Anthracyclinones
    C12429  13-Deoxydaunorubicin
BRITE hierarchy
Other DBs
CAS: 79466-09-4
PubChem: 582819
ChEBI: 31057
ChEMBL: CHEMBL3249109
LIPIDMAPS: LMPK13050003
KNApSAcK: C00018343
3DMET: B04509
NIKKAJI: J128.352I
KCF data Show

ATOM        37
            1   O2a O    26.8100  -17.4300
            2   C1y C    28.5600  -18.2700
            3   C1x C    28.5600  -19.6000
            4   O2x O    29.7500  -17.6400
            5   C1y C    29.7500  -20.3000
            6   C1y C    30.9400  -18.2700
            7   C1y C    30.9400  -19.6000
            8   N1a N    29.7500  -21.6300
            9   C1a C    32.0600  -17.6400
            10  O1a O    32.0600  -20.3000
            11  C1z C    28.0000  -13.5800
            12  O1a O    29.1900  -14.4900
            13  C1b C    29.1900  -12.8800
            14  C8y C    24.5000  -12.8800
            15  C8x C    18.5500  -13.5800
            16  C8x C    19.7400  -12.8800
            17  C8y C    20.9300  -13.5800
            18  C5x C    22.1200  -12.8800
            19  C8y C    23.3100  -13.5800
            20  C8x C    18.5500  -15.1200
            21  C8y C    25.6900  -13.5800
            22  C1x C    26.8800  -12.8800
            23  C8y C    19.7400  -15.8200
            24  C8y C    20.9300  -15.1200
            25  C5x C    22.1200  -15.8200
            26  C8y C    23.3100  -15.1200
            27  C8y C    24.5000  -15.8200
            28  C8y C    25.6900  -15.1200
            29  C1y C    26.8100  -15.8200
            30  C1x C    28.0000  -15.1900
            31  O2a O    19.7400  -17.1500
            32  O5x O    22.1200  -17.2200
            33  O1a O    24.5000  -17.2200
            34  O5x O    22.1200  -11.5500
            35  O1a O    24.5000  -11.5500
            36  C1a C    18.5500  -17.8500
            37  C1a C    30.4081  -13.5701
BOND        41
            1    18  19 1
            2    19  14 1
            3     6   7 1
            4    15  20 1
            5    14  21 2
            6     2   1 1 #Down
            7    21  22 1
            8    22  11 1
            9    11  12 1 #Down
            10   20  23 2
            11    2   3 1
            12   23  24 1
            13   11  13 1 #Up
            14   24  25 1
            15    2   4 1
            16   25  26 1
            17   26  27 1
            18    3   5 1
            19   27  28 2
            20    4   6 1
            21   28  29 1
            22    5   7 1
            23   29  30 1
            24   15  16 2
            25   23  31 1
            26    5   8 1 #Up
            27   25  32 2
            28   16  17 1
            29   27  33 1
            30   29   1 1 #Down
            31   17  24 2
            32   19  26 2
            33   21  28 1
            34    6   9 1 #Up
            35   18  34 2
            36   11  30 1
            37   17  18 1
            38   14  35 1
            39    7  10 1 #Up
            40   31  36 1
            41   13  37 1

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