KEGG   COMPOUND: C08127Help
Entry
C08127                      Compound                               

Name
Paricalcitol;
19-Nor-1alpha,25-dihydroxyvitamin D2
Formula
C27H44O3
Exact mass
416.329
Mol weight
416.6365
Structure
Mol fileKCF fileDB search
Remark
Same as: D00930
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST03 Secosteroids
   ST0301 Vitamin D2 and derivatives
    C08127  Paricalcitol
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H05 CALCIUM HOMEOSTASIS
   H05B ANTI-PARATHYROID AGENTS
    H05BX Other anti-parathyroid agents
     H05BX02 Paricalcitol
      D00930  Paricalcitol (JAN/USP/INN) <US>
USP drug classification [BR:br08302]
 Metabolic Bone Disease Agents
  Vitamin D-related Agents
   Paricalcitol
    D00930  Paricalcitol (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    NR1I1 (VDR)
     D00930  Paricalcitol (JAN/USP/INN) <US>
BRITE hierarchy
Other DBs
CAS: 131918-61-1
PubChem: 10327
ChEBI: 7931
ChEMBL: CHEMBL1200622
LIPIDMAPS: LMST04030163
3DMET: B02143
NIKKAJI: J1.157.530G
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1y C    24.5933  -20.5610
            2   C1z C    24.5640  -19.1920
            3   C2y C    23.4164  -21.2485
            4   C1x C    26.9643  -20.5844
            5   C1y C    25.7409  -18.4870
            6   C1x C    23.3930  -18.5162
            7   C1a C    24.5524  -17.8171
            8   C1x C    22.2220  -20.5786
            9   C2b C    23.4223  -22.6234
            10  C1x C    26.9352  -19.1454
            11  C1c C    25.7467  -17.1180
            12  C1x C    22.2104  -19.2094
            13  C2b C    22.2337  -23.3109
            14  C2b C    26.9293  -16.4246
            15  C1a C    24.5466  -16.4246
            16  C2y C    21.0453  -22.6351
            17  C2b C    28.1236  -17.1180
            18  C1x C    21.0394  -21.2602
            19  C1x C    19.8568  -23.3168
            20  C1c C    29.3063  -16.4246
            21  C1y C    19.8568  -20.5727
            22  C1y C    18.6684  -22.6351
            23  C1d C    30.4948  -17.1180
            24  C1a C    29.2946  -15.0556
            25  C1x C    18.6684  -21.2602
            26  O1a O    19.8451  -19.1978
            27  O1a O    17.4798  -23.3168
            28  C1a C    31.6775  -16.4246
            29  C1a C    30.4889  -18.4870
            30  O1a O    31.6775  -17.8055
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    9  13 1
            13   11  14 1
            14   11  15 1 #Down
            15   13  16 2
            16   14  17 2
            17   16  18 1
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23   20  24 1 #Down
            24   21  25 1
            25   21  26 1 #Down
            26   22  27 1 #Up
            27   23  28 1
            28   23  29 1
            29   23  30 1
            30    5  10 1
            31    8  12 1
            32   22  25 1

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