COMPOUND: C13891
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Entry
C13891 Compound
Name
CDP-1,2-didodecanoyl-sn-glycerol;
1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate
Formula
C36H65N3O15P2
Exact mass
841.3891
Mol weight
841.8599
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
GP Glycerophospholipids
GP13 CDP-Glycerols
GP1301 CDP-diacylglycerols
C13891 CDP-1,2-didodecanoyl-sn-glycerol
BRITE hierarchy
Other DBs
PubChem:
854136
ChEBI:
34046
LIPIDMAPS:
LMGP13010001
3DMET:
B05672
NIKKAJI:
J2.787.083J
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KCF data
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ATOM 56
1 C1y C 42.2905 -19.1731
2 N4y N 43.1807 -16.8773
3 O2x O 41.1660 -18.3296
4 C1y C 41.8688 -20.4381
5 C8y C 41.9625 -16.1745
6 C8x C 44.3520 -16.1745
7 C1y C 40.0885 -19.1263
8 C1y C 40.5102 -20.4381
9 O1a O 42.6653 -21.5625
10 N5x N 41.9625 -14.7689
11 O5x O 40.7444 -16.8304
12 C8x C 44.3520 -14.7689
13 C1b C 38.7766 -18.7514
14 O1a O 39.7605 -21.5625
15 C8y C 43.1807 -14.1129
16 O2b O 37.4178 -18.7514
17 N1a N 43.1807 -12.7542
18 P1b P 36.0590 -18.7514
19 O2c O 34.6534 -18.7514
20 O1c O 36.0590 -20.1101
21 O1c O 36.0590 -17.3457
22 P1b P 33.2947 -18.7514
23 O2b O 31.9360 -18.7514
24 O1c O 33.2947 -20.1101
25 O1c O 33.2947 -17.3457
26 C1b C 30.3899 -19.5010
27 C1c C 29.2654 -18.9857
28 C1b C 29.2654 -17.5801
29 O7a O 28.0940 -19.4074
30 O7a O 28.2814 -16.8304
31 C7a C 26.8759 -20.1101
32 C1b C 25.6576 -19.4542
33 C1b C 15.8653 -19.4542
34 C1b C 17.1304 -20.1570
35 C1b C 18.3485 -19.4542
36 C1b C 19.5668 -20.1570
37 C1b C 20.7850 -19.4542
38 C1b C 22.0030 -20.1570
39 C1b C 23.2213 -19.4542
40 C1b C 24.4395 -20.1570
41 C1b C 14.6472 -20.1570
42 O6a O 26.8759 -21.4220
43 C1b C 14.8814 -17.5332
44 C1b C 16.0996 -16.8304
45 C1b C 17.3178 -17.5332
46 C1b C 18.5360 -16.8304
47 C1b C 19.7541 -17.5332
48 C1b C 20.9723 -16.8304
49 C1b C 22.1905 -17.5332
50 C1b C 23.4087 -16.8304
51 C1b C 24.6269 -17.5332
52 C1b C 25.8451 -16.8304
53 C7a C 27.0632 -17.5332
54 O6a O 27.0632 -18.6577
55 C1a C 13.6838 -16.8414
56 C1a C 13.4462 -19.4631
BOND 57
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 2
11 6 12 2
12 7 13 1 #Up
13 8 14 1 #Down
14 10 15 2
15 13 16 1
16 15 17 1
17 16 18 1
18 18 19 1
19 18 20 1
20 18 21 2
21 19 22 1
22 22 23 1
23 22 24 1
24 22 25 2
25 23 26 1
26 26 27 1
27 27 28 1
28 27 29 1
29 28 30 1
30 7 8 1
31 12 15 1
32 29 31 1
33 31 32 1
34 33 34 1
35 34 35 1
36 35 36 1
37 36 37 1
38 37 38 1
39 38 39 1
40 39 40 1
41 40 32 1
42 33 41 1
43 31 42 2
44 43 44 1
45 44 45 1
46 45 46 1
47 46 47 1
48 47 48 1
49 48 49 1
50 49 50 1
51 50 51 1
52 51 52 1
53 52 53 1
54 53 30 1
55 53 54 2
56 43 55 1
57 41 56 1
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