KEGG   COMPOUND: C12430Help
Entry
C12430                      Compound                               

Name
13-Dihydrodaunorubicin
Formula
C27H31NO10
Exact mass
529.1948
Mol weight
529.5357
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
intermediate of daunorubicin synthesis (see [RN:R06688+R06689])
The configuration of 13-hydroxyl group is unknown.
The name "13-dihydrodaunorubicin" usually means (13S)-13-Dihydrodaunorubicin [CPD:C12433].
Reaction
Pathway
Biosynthesis of type II polyketide products
Biosynthesis of antibiotics
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1305 Anthracyclinones
    C12430  13-Dihydrodaunorubicin
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        38
            1   O2a O    26.3200  -17.4300
            2   C1y C    27.6500  -18.4100
            3   C1x C    27.6500  -19.7400
            4   O2x O    28.8400  -17.7100
            5   C1y C    28.8400  -20.4400
            6   C1y C    29.9600  -18.4100
            7   C1y C    29.9600  -19.7400
            8   N1a N    28.8400  -21.7700
            9   C1a C    31.1500  -17.7100
            10  O1a O    31.1500  -20.4400
            11  C1z C    27.5100  -13.5800
            12  O1a O    28.6300  -14.4200
            13  C1c C    28.6300  -12.8800
            14  O1a O    28.6300  -11.5500
            15  C8y C    23.9400  -12.8800
            16  C8x C    18.0600  -13.5100
            17  C8x C    19.2500  -12.8100
            18  C8y C    20.4400  -13.5100
            19  C5x C    21.5600  -12.8800
            20  C8y C    22.7500  -13.5100
            21  C8x C    18.0600  -15.1200
            22  C8y C    25.1300  -13.5800
            23  C1x C    26.3200  -12.8800
            24  C8y C    19.2500  -15.7500
            25  C8y C    20.3700  -15.1200
            26  C5x C    21.5600  -15.8200
            27  C8y C    22.7500  -15.1200
            28  C8y C    23.9400  -15.8200
            29  C8y C    25.1300  -15.1200
            30  C1y C    26.3200  -15.8200
            31  C1x C    27.5100  -15.1200
            32  O2a O    19.2500  -17.1500
            33  O5x O    21.5600  -17.1500
            34  O1a O    23.9400  -17.1500
            35  O5x O    21.5600  -11.5500
            36  O1a O    23.9400  -11.5500
            37  C1a C    17.9900  -17.8500
            38  C1a C    29.8200  -13.5800
BOND        42
            1    20  15 1
            2     6   7 1
            3    16  21 1
            4    15  22 2
            5     2   1 1 #Down
            6    22  23 1
            7    23  11 1
            8    11  12 1 #Down
            9    21  24 2
            10    2   3 1
            11   24  25 1
            12   11  13 1 #Up
            13   25  26 1
            14    2   4 1
            15   26  27 1
            16   13  14 1
            17   27  28 1
            18    3   5 1
            19   28  29 2
            20    4   6 1
            21   29  30 1
            22    5   7 1
            23   30  31 1
            24   16  17 2
            25   24  32 1
            26    5   8 1 #Up
            27   26  33 2
            28   17  18 1
            29   28  34 1
            30   30   1 1 #Down
            31   18  25 2
            32   20  27 2
            33   22  29 1
            34    6   9 1 #Up
            35   19  35 2
            36   11  31 1
            37   18  19 1
            38   15  36 1
            39    7  10 1 #Up
            40   32  37 1
            41   19  20 1
            42   13  38 1

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