KEGG   COMPOUND: C07650
Entry
C07650                      Compound                               
Name
Gemcitabine
Formula
C9H11F2N3O4
Exact mass
263.0718
Mol weight
263.1981
Structure
Remark
Same as: D02368
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BC Pyrimidine analogues
     L01BC05 Gemcitabine
      D02368  Gemcitabine (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG02018  Antimetabolite
   DG01958  Nucleic acid derivative, antineoplastic
    DG01439  Arabinofuranosyl type antineoplastic
     DG00688  Gemcitabine
      D02368  Gemcitabine
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Ribonucleoside-diphosphate reductase
    RRM1
     D02368  Gemcitabine (USAN/INN)
Other DBs
CAS: 95058-81-4
PubChem: 9852
ChEBI: 175901
PDB-CCD: GEO[PDBj]
NIKKAJI: J357.909C
KCF data

ATOM        18
            1   C1y C    19.0421  -17.4316
            2   N4y N    20.4400  -16.3827
            3   C1z C    18.6921  -18.7617
            4   O2x O    17.9220  -16.5915
            5   C8y C    21.6273  -17.0180
            6   C8x C    20.4260  -15.0045
            7   C1y C    17.2220  -18.7617
            8   X   F    18.6921  -20.1618
            9   X   F    19.9522  -18.7617
            10  C1y C    16.8019  -17.4316
            11  N5x N    22.7768  -16.1969
            12  O5x O    21.6331  -18.2800
            13  C8x C    21.5755  -14.1834
            14  O1a O    16.3819  -19.8118
            15  C1b C    15.6118  -17.0116
            16  C8y C    22.7628  -14.8187
            17  O1a O    14.5617  -18.0616
            18  N1a N    23.9242  -14.0367
BOND        19
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    7  14 1 #Down
            14   10  15 1 #Up
            15   11  16 2
            16   15  17 1
            17   16  18 1
            18    7  10 1
            19   13  16 1

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (7)   

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