KEGG   COMPOUND: C01907Help
Entry
C01907                      Compound                               

Name
Daunorubicin;
Daunomycin;
(+)-Daunomycin
Formula
C27H29NO10
Exact mass
527.1791
Mol weight
527.5199
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Biosynthesis of type II polyketide products
Biosynthesis of antibiotics
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1305 Anthracyclinones
    C01907  Daunorubicin
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C01907  Daunorubicin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
    L01DB Anthracyclines and related substances
     L01DB02 Daunorubicin
      D07776  Daunorubicin (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases
   topoisomerase II
    Daunorubicin
     D07776  Daunorubicin (INN)
BRITE hierarchy
Other DBs
CAS: 
20830-81-3
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        38
            1   C8y C    25.2000  -13.7200
            2   C8y C    25.2000  -15.1200
            3   C8y C    24.0100  -13.0200
            4   C1x C    26.3900  -13.0200
            5   C1y C    26.4600  -15.8200
            6   C8y C    24.0100  -15.8200
            7   C8y C    22.8200  -13.7200
            8   O1a O    24.0100  -11.6900
            9   C1z C    27.7200  -13.6500
            10  C1x C    27.7200  -15.1200
            11  O2a O    26.5300  -17.5700
            12  C8y C    22.8200  -15.1200
            13  O1a O    24.0100  -17.1500
            14  C5x C    21.6300  -13.0900
            15  C1y C    28.2100  -18.4800
            16  C5x C    21.6300  -15.8200
            17  C8y C    20.4400  -13.7900
            18  O5x O    21.6300  -11.6900
            19  C1x C    28.2100  -19.8800
            20  O2x O    29.4000  -17.8500
            21  C8y C    20.4400  -15.1200
            22  O5x O    21.6300  -17.1500
            23  C8x C    19.2500  -13.0900
            24  C1y C    29.4000  -20.5100
            25  C1y C    30.5200  -18.4800
            26  C8y C    19.2500  -15.8200
            27  C8x C    18.0600  -13.7900
            28  C1y C    30.5200  -19.8800
            29  N1a N    29.4000  -21.9100
            30  C1a C    31.7100  -17.8500
            31  C8x C    18.0600  -15.1200
            32  O2a O    19.2500  -17.1500
            33  O1a O    31.7100  -20.5100
            34  C1a C    18.0600  -17.8500
            35  C5a C    28.9030  -12.9014
            36  C1a C    30.1394  -13.5497
            37  O5a O    28.9152  -11.4815
            38  O1a O    28.9464  -14.3252
BOND        42
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14   15  11 1 #Down
            15   12  16 1
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   15  20 1
            20   16  21 1
            21   16  22 2
            22   17  23 2
            23   19  24 1
            24   20  25 1
            25   21  26 2
            26   23  27 1
            27   24  28 1
            28   24  29 1 #Up
            29   25  30 1 #Up
            30   26  31 1
            31   26  32 1
            32   28  33 1 #Up
            33   32  34 1
            34    7  12 2
            35    9  10 1
            36   17  21 1
            37   25  28 1
            38   27  31 2
            39    9  35 1 #Up
            40   35  36 1
            41   35  37 2
            42    9  38 1 #Down

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