Entry
Name
(24R,25R)-3alpha,7alpha,24-Trihydroxy-5beta-cholestanoyl-CoA;
(24R,25R)-3alpha,7alpha,24-Trihydroxy-5beta-cholestan-26-oyl-CoA
Formula
C48H80N7O20P3S
Exact mass
1199.4392
Mol weight
1200.17
Structure
Mol file KCF file DB search
Reaction
Pathway
Module
M00104 Bile acid biosynthesis, cholesterol => cholate/chenodeoxycholate
M00862 beta-Oxidation, peroxisome, tri/dihydroxycholestanoyl-CoA => choloyl/chenodeoxycholoyl-CoA
Enzyme
Brite
Lipids [BR:br08002 ]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0403 C27 bile acids, alcohols, and derivatives
C05448 (24R,25R)-3alpha,7alpha,24-Trihydroxy-5beta-cholestanoyl-CoA
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 79
1 S2a S 17.8908 -17.6707
2 C1b C 19.0432 -17.0054
3 C1b C 20.1956 -17.6707
4 N1b N 21.3480 -17.0054
5 C5a C 22.5003 -17.6707
6 C1b C 23.6528 -17.0054
7 C1b C 24.8051 -17.6707
8 N1b N 25.9576 -17.0054
9 C5a C 27.1099 -17.6707
10 C1c C 28.2623 -17.0054
11 C1d C 29.4147 -17.6707
12 C1b C 30.5671 -17.0054
13 O2b O 31.7194 -17.6707
14 O5a O 22.5003 -19.0013
15 O5a O 27.1099 -19.0010
16 O1a O 28.2623 -15.6747
17 C1a C 29.4147 -16.3400
18 C1a C 29.4147 -19.0014
19 P1b P 33.0501 -17.6707
20 O1c O 34.3807 -17.6707
21 O1c O 33.0501 -19.0014
22 C1y C 26.8753 -12.9468
23 C1y C 28.2060 -12.9468
24 C1y C 28.6172 -11.6812
25 O2x O 27.5406 -10.8991
26 C1y C 26.4642 -11.6812
27 C1b C 29.8714 -11.2737
28 O1a O 26.0932 -14.0233
29 O2b O 28.9882 -14.0233
30 P1b P 30.3189 -14.0233
31 O1c O 30.3189 -12.6927
32 O1c O 31.6495 -14.0233
33 O1c O 30.3189 -15.3540
34 C8y C 22.5507 -9.9528
35 C8y C 22.5507 -11.2835
36 N4y N 24.8555 -11.2835
37 C8x C 24.8555 -9.9528
38 N5x N 23.7031 -9.2875
39 C8y C 21.3984 -9.2875
40 N5x N 20.2459 -9.9528
41 C8x C 20.2459 -11.2835
42 N5x N 21.3984 -11.9488
43 N1a N 21.3984 -7.9571
44 O2b O 31.7555 -11.6846
45 P1b P 33.0862 -11.6846
46 O1c O 33.0862 -10.3540
47 O1c O 34.4169 -11.6846
48 O2c O 33.0862 -14.7452
49 C5a C 16.7411 -17.0054
50 C1c C 15.5886 -17.6707
51 C1c C 14.4363 -17.0054
52 C1b C 13.2838 -17.6707
53 C1b C 12.1313 -17.0054
54 C1c C 10.9790 -17.6707
55 O5a O 16.7416 -15.6749
56 C1a C 15.5886 -19.0012
57 C1a C 9.8227 -17.0032
58 C1y C 10.9790 -19.0014
59 C1z C 9.8227 -19.6689
60 C1y C 9.8227 -20.9995
61 C1x C 12.1313 -20.9973
62 C1x C 12.1313 -19.6667
63 C1x C 8.6704 -19.0036
64 C1x C 7.5179 -19.6689
65 C1y C 7.5179 -20.9995
66 C1y C 8.6704 -21.6649
67 C1z C 6.3656 -21.6649
68 C1y C 6.3656 -22.9955
69 C1x C 7.5180 -23.6609
70 C1y C 8.6704 -22.9955
71 C1x C 5.2132 -20.9995
72 C1x C 4.0608 -21.6649
73 C1y C 4.0608 -22.9955
74 C1x C 5.2132 -23.6609
75 O1a O 2.9046 -23.6632
76 C1a C 6.3656 -20.3342
77 C1a C 9.8227 -18.3382
78 O1a O 9.8028 -23.6496
79 O1a O 14.4362 -15.6108
BOND 85
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 5 14 2
14 9 15 2
15 10 16 1 #Down
16 11 17 1
17 11 18 1
18 13 19 1
19 19 20 2
20 19 21 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 22 26 1
26 24 27 1 #Down
27 22 28 1 #Up
28 23 29 1 #Up
29 29 30 1
30 30 31 1
31 30 32 1
32 30 33 2
33 34 35 2
34 35 36 1
35 36 37 1
36 37 38 2
37 34 38 1
38 34 39 1
39 39 40 2
40 40 41 1
41 41 42 2
42 35 42 1
43 39 43 1
44 26 36 1 #Down
45 27 44 1
46 44 45 1
47 45 46 1
48 45 47 2
49 45 48 1
50 19 48 1
51 1 49 1
52 49 50 1
53 50 51 1
54 51 52 1
55 52 53 1
56 53 54 1
57 49 55 2
58 50 56 1 #Down
59 54 57 1 #Down
60 54 58 1
61 58 59 1
62 59 60 1
63 60 61 1
64 61 62 1
65 58 62 1
66 59 63 1
67 63 64 1
68 64 65 1
69 65 66 1
70 60 66 1
71 65 67 1
72 67 68 1
73 68 69 1
74 69 70 1
75 66 70 1
76 67 71 1
77 71 72 1
78 72 73 1
79 73 74 1
80 68 74 1
81 73 75 1 #Down
82 67 76 1 #Up
83 59 77 1 #Up
84 70 78 1 #Down
85 51 79 1 #Up