KEGG   COMPOUND: C13077
Entry
C13077                      Compound                               
Name
Estradiol dipropionate
Formula
C24H32O4
Exact mass
384.2301
Mol weight
384.5085
Structure
Remark
Same as: D01617
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C13077  Estradiol dipropionate
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03C ESTROGENS
    G03CA Natural and semisynthetic estrogens, plain
     G03CA03 Estradiol
      D01617  Estradiol dipropionate (JAN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00462  Estradiol
    D01617  Estradiol dipropionate
  DG01584  Estrogen receptor agonist
   DG00462  Estradiol
    D01617  Estradiol dipropionate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00462  Estradiol
     D01617  Estradiol dipropionate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D01617  Estradiol dipropionate (JAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01617
Other DBs
CAS: 113-38-2
PubChem: 585141
ChEBI: 31560
LIPIDMAPS: LMST02010040
3DMET: B04567
NIKKAJI: J5.131D
KCF data

ATOM        28
            1   C8x C    13.6500  -31.6400
            2   C8y C    13.6500  -33.0400
            3   C8x C    14.8624  -33.7400
            4   C8y C    16.0749  -33.0400
            5   C8y C    16.0749  -31.6400
            6   C8x C    14.8624  -30.9400
            7   C1x C    17.2873  -33.7400
            8   C1x C    18.4997  -33.0400
            9   C1y C    18.4997  -31.6400
            10  C1y C    17.2873  -30.9400
            11  C1y C    19.7122  -30.9400
            12  C1z C    19.7122  -29.5400
            13  C1x C    18.4997  -28.8400
            14  C1x C    17.2873  -29.5400
            15  C1x C    22.1370  -30.9400
            16  C1x C    22.1370  -29.5400
            17  C1y C    20.9246  -28.8400
            18  O7a O    12.4376  -33.7400
            19  C7a C    11.2421  -33.0496
            20  C1b C    10.0547  -33.7351
            21  C1a C     8.8635  -33.0471
            22  O6a O    11.2420  -31.6403
            23  C1a C    19.7122  -28.1400
            24  O7a O    20.9246  -27.4400
            25  C7a C    22.1411  -26.7377
            26  C1b C    23.3386  -27.4292
            27  C1a C    24.5249  -26.7443
            28  O6a O    22.1411  -25.3402
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   19  22 2
            26   12  23 1 #Up
            27   17  24 1 #Up
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   25  28 2

» Japanese version

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
All databases (6)   

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