Entry
Name
Ciliatocholate;
Ciliatocholic acid;
2-Aminoethylphosphocholate
Formula
C26H46NO7P
Exact mass
515.3012
Mol weight
515.6197
Structure
Mol file KCF file DB search
Reaction
Pathway
map00440 Phosphonate and phosphinate metabolism
Brite
Lipids [BR:br08002 ]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0402 C26 bile acids, alcohols, and derivatives
C05683 2-Aminoethylphosphocholic acid
BRITE hierarchy
Other DBs
KCF data
Show ATOM 35
1 C1y C 15.6729 -17.9378
2 C1y C 16.8633 -17.2592
3 C1y C 14.4711 -17.2477
4 C1y C 15.6844 -19.3122
5 C1z C 16.8518 -15.8847
6 C1z C 13.2743 -17.9319
7 C1x C 14.5239 -15.8732
8 C1x C 14.4999 -19.9908
9 O1a O 16.8922 -20.0023
10 C1y C 15.6443 -15.1945
11 C1a C 16.8002 -14.8233
12 C1y C 13.2922 -19.3007
13 C1x C 12.0673 -17.2418
14 C1a C 13.2633 -16.5576
15 O1a O 15.6271 -13.8260
16 C1x C 12.1018 -19.9793
17 C1x C 10.8769 -17.9204
18 C1y C 10.8240 -19.2892
19 O1a O 9.5197 -20.1345
20 C1x C 19.2691 -17.3085
21 C1x C 19.2571 -15.8645
22 C1y C 18.0486 -15.1802
23 C1c C 18.0486 -13.7915
24 C1b C 19.2451 -13.1008
25 C1b C 20.4399 -13.7909
26 C5a C 21.6133 -13.1136
27 N1b N 22.7971 -13.7975
28 C1b C 23.9760 -13.1170
29 C1a C 17.0667 -12.8096
30 O5a O 21.6135 -11.7228
31 C1b C 25.1570 -13.7990
32 P1b P 26.3372 -13.1178
33 O1c O 27.7259 -13.1178
34 O1c O 26.3372 -11.7291
35 O1c O 26.3372 -14.5065
BOND 38
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 6 13 1
13 6 14 1 #Up
14 10 15 1 #Down
15 12 16 1
16 13 17 1
17 16 18 1
18 18 19 1 #Down
19 7 10 1
20 8 12 1
21 17 18 1
22 2 20 1
23 20 21 1
24 21 22 1
25 5 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 23 29 1 #Down
33 26 30 2
34 28 31 1
35 31 32 1
36 32 33 2
37 32 34 1
38 32 35 1