KEGG   COMPOUND: C18231Help
Entry
C18231                      Compound                               

Name
Calcitetrol;
1alpha,24R,25-Trihydroxyvitamin D3;
(1S,3R,5Z,7E,24R,25)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol
Formula
C27H44O4
Exact mass
432.324
Mol weight
432.6359
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00100  Steroid biosynthesis
map01100  Metabolic pathways
map04928  Parathyroid hormone synthesis, secretion and action
Enzyme
Other DBs
PubChem: 103061413
ChEBI: 47799
ChEMBL: CHEMBL3351075
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1x C    12.6540  -18.2383
            2   C1y C    12.6540  -19.6068
            3   C1x C    13.8419  -20.2910
            4   C2y C    15.0232  -19.6068
            5   C2y C    15.0232  -18.2383
            6   C1y C    13.8419  -17.5541
            7   C1x C    16.2183  -16.1512
            8   C1x C    16.2183  -17.5196
            9   C2y C    17.4062  -18.2038
            10  C1x C    17.4062  -15.4670
            11  C1z C    18.5874  -16.1512
            12  C1y C    18.6517  -17.5196
            13  C1x C    20.9518  -17.5297
            14  C1x C    20.9577  -16.1612
            15  C1y C    19.7757  -15.4721
            16  C1c C    19.7814  -14.1035
            17  C1b C    20.9597  -13.4212
            18  C1b C    22.1417  -14.1055
            19  C1c C    23.3235  -13.4280
            20  C1d C    24.5054  -14.1122
            21  C2b C    16.2261  -20.2593
            22  C1a C    18.5754  -14.7827
            23  C1a C    18.5972  -13.4175
            24  C2b C    17.4461  -19.5537
            25  O1a O    11.4692  -20.2915
            26  C2a C    15.0157  -16.8630
            27  C1a C    25.7396  -13.4017
            28  C1a C    24.5040  -15.4928
            29  O1a O    25.7135  -14.8097
            30  O1a O    13.8443  -16.1215
            31  O1a O    23.3265  -12.0503
BOND        33
            1     2   3 1
            2    15  16 1
            3     3   4 1
            4    16  17 1
            5     7   8 1
            6    17  18 1
            7     8   9 1
            8    18  19 1
            9     9  12 1
            10   19  20 1
            11    9  24 2
            12   11  10 1
            13   24  21 1
            14   10   7 1
            15    4   5 1
            16   11  22 1 #Up
            17    5   6 1
            18   16  23 1 #Down
            19    6   1 1
            20    1   2 1
            21   11  12 1
            22   13  14 1
            23   21   4 2
            24   14  15 1
            25   15  11 1
            26    2  25 1 #Up
            27   12  13 1
            28    5  26 2
            29   20  27 1
            30   20  28 1
            31   20  29 1
            32    6  30 1 #Down
            33   19  31 1 #Up

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