KEGG   COMPOUND: C12650
Entry
C12650                      Compound                               
Name
Capecitabine;
(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester
Formula
C15H22FN3O6
Exact mass
359.1493
Mol weight
359.3501
Structure
Remark
Same as: D01223
Reaction
R08220
Pathway
map00983  Drug metabolism - other enzymes
Enzyme
3.1.1.1
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BC Pyrimidine analogues
     L01BC06 Capecitabine
      D01223  Capecitabine (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antimetabolites
   Capecitabine
    D01223  Capecitabine (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   422  Antimetabolites
    4223  Fluorouracils
     D01223  Capecitabine (JAN/USP/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG02018  Antimetabolite
   DG01958  Nucleic acid derivative, antineoplastic
    DG01935  Fluoropyrimidine antineoplastic
     D01223  Capecitabine
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   D01223  Capecitabine
Drug classes [BR:br08332]
 Antineoplastic
  DG02018  Antimetabolite
   D01223  Capecitabine
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    TYMS
     D01223  Capecitabine (JAN/USP/INN) <JP/US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D01223
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01223
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01223
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D01223
Other DBs
CAS: 154361-50-9
PubChem: 583040
ChEBI: 31348
NIKKAJI: J949.163E
KCF data

ATOM        25
            1   C1y C    22.6823  -21.6375
            2   C1y C    24.0781  -21.6375
            3   C1y C    24.5667  -20.3114
            4   O2x O    23.3802  -19.5437
            5   C1y C    22.2635  -20.3114
            6   C1a C    20.9375  -19.8927
            7   O1a O    21.8448  -22.8240
            8   O1a O    24.9156  -22.8240
            9   N4y N    25.8909  -19.8700
            10  C8y C    26.9476  -20.8069
            11  N5x N    28.2718  -20.3653
            12  C8y C    28.5514  -18.9976
            13  C8y C    27.4947  -18.0609
            14  C8x C    26.1705  -18.5025
            15  O5x O    26.6689  -22.1693
            16  X   F    27.7713  -16.7093
            17  N1b N    29.7537  -18.2875
            18  C7a C    30.9626  -18.9854
            19  O7a O    32.1714  -18.2875
            20  C1b C    33.3802  -18.9854
            21  C1b C    34.5892  -18.2875
            22  C1b C    35.7980  -18.9854
            23  C1b C    37.0068  -18.2875
            24  C1a C    38.2157  -18.9854
            25  O6a O    30.9626  -20.3810
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 1 #Up
            7     1   7 1 #Down
            8     2   8 1 #Down
            9     3   9 1 #Up
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   10  15 2
            17   13  16 1
            18   12  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   18  25 2

» Japanese version

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Pathway (1)   
   KEGG PATHWAY (1)   
Drug (1)   
   KEGG DRUG (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
Gene (1287)   
   KEGG GENES (1287)   
All databases (1296)   

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