COMPOUND: C13890
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Entry
C13890 Compound
Name
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate;
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate;
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate
Formula
C37H72O11P2
Exact mass
754.455
Mol weight
754.9085
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
GP Glycerophospholipids
GP11 Glyceropyrophosphates
GP1101 Diacylglyceropyrophosphates
C13890 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate
BRITE hierarchy
Other DBs
PubChem:
854135
ChEBI:
34087
LIPIDMAPS:
LMGP11010001
3DMET:
B05671
NIKKAJI:
J2.787.079A
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KCF data
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ATOM 50
1 C1c C 19.7307 -17.8164
2 C1b C 19.7307 -19.2155
3 C1b C 18.5178 -17.1168
4 O7a O 20.9433 -17.1168
5 O2b O 20.9433 -19.9151
6 O7a O 18.5178 -15.7173
7 C7a C 20.9433 -15.7173
8 P1b P 22.3425 -19.9151
9 C7a C 17.3053 -15.0178
10 O6a O 19.7307 -15.0178
11 C1b C 22.1558 -15.0178
12 O2c O 23.7417 -19.9151
13 O1c O 22.3425 -18.5159
14 O1c O 22.3425 -21.3143
15 O6a O 16.0925 -15.7173
16 C1b C 17.3053 -13.6185
17 C1b C 23.3687 -15.7173
18 C1b C 24.5813 -15.0178
19 C1b C 25.7939 -15.7173
20 C1b C 27.0067 -15.0178
21 C1b C 28.2194 -15.7173
22 C1b C 29.4320 -15.0178
23 C2b C 30.6447 -15.7173
24 C2b C 32.0441 -15.7173
25 C1b C 33.2566 -15.0178
26 C1b C 34.4693 -15.7173
27 C1b C 35.6820 -15.0178
28 C1b C 36.8947 -15.7173
29 C1b C 38.1073 -15.0178
30 C1b C 39.3202 -15.7173
31 C1b C 40.5328 -15.0178
32 C1a C 41.7454 -15.7173
33 C1b C 18.5178 -12.9190
34 C1b C 19.7307 -13.6185
35 C1b C 20.9433 -12.9190
36 C1b C 22.1558 -13.6185
37 C1b C 23.3687 -12.9190
38 C1b C 24.5813 -13.6185
39 C1b C 25.7939 -12.9190
40 C1b C 27.0067 -13.6185
41 C1b C 28.2194 -12.9190
42 C1b C 29.4320 -13.6185
43 C1b C 30.6447 -12.9190
44 C1b C 31.8575 -13.6185
45 C1b C 33.0701 -12.9190
46 C1a C 34.2815 -13.6189
47 P1b P 25.1509 -19.9237
48 O1c O 26.5507 -19.9237
49 O1c O 25.1509 -18.5239
50 O1c O 25.1509 -21.3235
BOND 49
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 1
8 6 9 1
9 7 10 2
10 7 11 1
11 8 12 1
12 8 13 1
13 8 14 2
14 9 15 2
15 9 16 1
16 11 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 2
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 16 33 1
33 33 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 38 39 1
39 39 40 1
40 40 41 1
41 41 42 1
42 42 43 1
43 43 44 1
44 44 45 1
45 45 46 1
46 12 47 1
47 47 48 1
48 47 49 1
49 47 50 2
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