KEGG   COMPOUND: C14392
Entry
C14392                      Compound                               
Name
Equilin;
3-Hydroxyestra-1,3,5(10),7-tetraen-17-one
Formula
C18H20O2
Exact mass
268.1463
Mol weight
268.3502
Structure
Remark
Same as: D04041
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  18-Carbon atoms
   Estrane derivatives
    C14392  Equilin
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C14392  Equilin
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   D04041  Equilin
  DG01584  Estrogen receptor agonist
   D04041  Equilin
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D04041  Equilin (USP)
Other DBs
CAS: 474-86-2
PubChem: 17395392
ChEBI: 42309
LIPIDMAPS: LMST02010026
PDB-CCD: EQI[PDBj]
NIKKAJI: J5.967F
KCF data

ATOM        20
            1   C8x C    18.6454  -17.2143
            2   C8y C    18.6454  -18.5692
            3   C8x C    19.8187  -19.2465
            4   C8y C    20.9920  -18.5692
            5   C8y C    20.9920  -17.2143
            6   C8x C    19.8187  -16.5370
            7   C1x C    22.1653  -19.2465
            8   C2x C    23.3385  -18.5692
            9   C2y C    23.3385  -17.2143
            10  C1y C    22.1653  -16.5370
            11  C1y C    24.5119  -16.5370
            12  C1z C    24.5119  -15.1821
            13  C1x C    23.3385  -14.5048
            14  C1x C    22.1653  -15.1821
            15  C1x C    26.8584  -16.5370
            16  C1x C    26.8584  -15.1821
            17  C5x C    25.6851  -14.5048
            18  C1a C    24.4688  -13.8275
            19  O5x O    25.6903  -13.1500
            20  O1a O    17.4307  -19.2707
BOND        23
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            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   12  18 1 #Up
            22   17  19 2
            23    2  20 1

» Japanese version

  All links  
Drug (1)   
   KEGG DRUG (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

Download RDF
DBGET integrated database retrieval system