KEGG   DRUG: Elacytarabine
Entry
D09712                      Drug                                   
Name
Elacytarabine (USAN/INN)
Formula
C27H45N3O6
Exact mass
507.3308
Mol weight
507.6627
Structure
Simcomp
Class
Antineoplastic
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
   DG01439  Arabinofuranosyl type antineoplastic
Efficacy
Antineoplastic, Antimetabolite
Comment
Elacytarabine is lipophilic 5'-elaidic acid ester of Cytarabine [DR:D00168]
arabinofuranosyl derivative
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG02018  Antimetabolite
   DG01958  Nucleic acid derivative, antineoplastic
    DG01439  Arabinofuranosyl type antineoplastic
     D09712  Elacytarabine
Other DBs
CAS: 188181-42-2
PubChem: 124490452
ChEBI: 177700
LigandBox: D09712
KCF data

ATOM        36
            1   C8x C    35.7615  -20.6356
            2   N4y N    35.7615  -22.0437
            3   C8y C    36.9583  -22.7477
            4   N5x N    38.2255  -22.0437
            5   C8y C    38.2255  -20.6356
            6   C8x C    36.9583  -19.9316
            7   C1y C    34.5647  -22.7477
            8   C1y C    32.7342  -24.0853
            9   C1y C    34.1423  -24.0853
            10  O2x O    33.4382  -21.9029
            11  C1y C    32.3118  -22.7477
            12  C1b C    31.1150  -22.0437
            13  O7a O    29.9182  -22.7477
            14  C7a C    28.7214  -22.0437
            15  C1b C    27.5245  -22.7477
            16  C1b C    26.2994  -22.0536
            17  C1b C    25.1113  -22.7527
            18  C1b C    23.8990  -22.0658
            19  C1b C    22.7210  -22.7586
            20  C1b C    21.5037  -22.0687
            21  O6a O    28.7214  -20.6356
            22  O1a O    31.9019  -25.2210
            23  O1a O    34.9746  -25.2210
            24  N1a N    39.4391  -19.9216
            25  C1b C    20.2766  -22.7908
            26  C2b C    19.0606  -22.1024
            27  C2b C    17.8540  -22.8128
            28  C1b C    16.6503  -22.1314
            29  C1b C    15.4686  -22.8270
            30  C1b C    14.2527  -22.1385
            31  C1b C    13.0254  -22.8614
            32  C1b C    11.8089  -22.1733
            33  C1b C    10.6031  -22.8840
            34  C1b C     9.3986  -22.2026
            35  C1a C     8.2177  -22.8982
            36  O5x O    36.9410  -24.1499
BOND        37
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     7   2 1 #Up
            8     8   9 1
            9     9   7 1
            10    7  10 1
            11   10  11 1
            12    8  11 1
            13   11  12 1 #Up
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   14  21 2
            23    8  22 1 #Down
            24    9  23 1 #Up
            25    5  24 1
            26   20  25 1
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37    3  36 2

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Ontology (1)   
   KEGG BRITE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (5)   

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