KEGG   COMPOUND: C15519Help
Entry
C15519                      Compound                               

Name
25-Hydroxycholesterol;
Cholest-5-ene-3beta,25-diol
Formula
C27H46O2
Exact mass
402.3498
Mol weight
402.6529
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00120  Primary bile acid biosynthesis
Enzyme
Other DBs
CAS: 2140-46-7
PubChem: 17396511
ChEBI: 42977
ChEMBL: CHEMBL169046
LIPIDMAPS: LMST01010002 LMST01010018 LMST01010146
LipidBank: SST0081 SST9041
PDB-CCD: HC3[PDBj]
NIKKAJI: J80.397I
KCF data Show

ATOM        29
            1   C1y C    28.7475  -20.5713
            2   C1y C    27.5733  -21.2489
            3   C1z C    28.7475  -19.2160
            4   C1x C    31.0959  -20.5713
            5   C1y C    26.4049  -20.5713
            6   C1x C    27.5674  -22.6042
            7   C1y C    29.9334  -18.5383
            8   C1x C    27.5733  -18.5383
            9   C1a C    28.7416  -17.8607
            10  C1x C    31.0959  -19.2160
            11  C1z C    25.2190  -21.2489
            12  C1x C    26.4049  -19.2160
            13  C2x C    26.4049  -23.2818
            14  C1c C    29.9334  -17.1830
            15  C2y C    25.2190  -22.6042
            16  C1x C    24.0507  -20.5713
            17  C1a C    25.2073  -19.8936
            18  C1b C    31.1310  -16.4937
            19  C1a C    28.7299  -16.4879
            20  C1x C    24.0507  -23.2818
            21  C1x C    22.8766  -21.2489
            22  C1b C    32.3286  -17.1888
            23  C1y C    22.8766  -22.6042
            24  C1b C    33.5261  -16.4937
            25  O1a O    21.6907  -23.2818
            26  C1d C    34.7295  -17.1888
            27  C1a C    35.9270  -16.4994
            28  C1a C    34.7237  -18.5734
            29  O1a O    35.9419  -17.8888
BOND        32
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 1
            6     3   9 1 #Up
            7     4  10 1
            8     5  11 1
            9     5  12 1
            10    6  13 1
            11    7  14 1
            12   11  15 1
            13   11  16 1
            14   11  17 1 #Up
            15   14  18 1
            16   14  19 1 #Down
            17   15  20 1
            18   16  21 1
            19   18  22 1
            20   20  23 1
            21   22  24 1
            22   23  25 1 #Up
            23   24  26 1
            24   26  27 1
            25   26  28 1
            26    7  10 1
            27    8  12 1
            28   13  15 2
            29   21  23 1
            30    1   2 1
            31    1   3 1
            32   26  29 1

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