COMPOUND: C21483
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Entry
C21483 Compound
Name
1-Octadecanoyl-2-(15S-hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine;
18:0/15-HpETE-PE
Formula
C43H78NO10P
Exact mass
799.5363
Mol weight
800.05
Structure
Mol file
KCF file
DB search
Pathway
map04216
Ferroptosis
Network
nt06525
Ferroptosis
Brite
Lipids [BR:
br08002
]
GP Glycerophospholipids
GP20 Oxidized glycerophospholipids
GP2002 Oxidized glycerophosphoethanolamines
C21483 1-Octadecanoyl-2-(15S-hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
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Other DBs
PubChem:
329970435
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KCF data
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ATOM 55
1 C1c C 15.5097 -26.8522
2 C1b C 15.5097 -28.2545
3 C1b C 14.2477 -26.1511
4 O7a O 16.7017 -26.1511
5 O2b O 16.7017 -28.9556
6 O7a O 14.2477 -24.7488
7 C7a C 16.7017 -24.7488
8 P1b P 18.1039 -28.9556
9 C7a C 13.0558 -24.0477
10 O6a O 15.5097 -24.0477
11 C1b C 17.8935 -24.0477
12 O2b O 19.5062 -28.9556
13 O1c O 18.1039 -27.5534
14 O1c O 18.1039 -30.3579
15 O6a O 11.8638 -24.7488
16 C1b C 13.0558 -22.6454
17 C1b C 20.2073 -30.1475
18 C1b C 21.6096 -30.1475
19 N1a N 22.3108 -31.3395
20 C1b C 14.2477 -21.9443
21 C1b C 15.5097 -22.6454
22 C1b C 16.7017 -21.9443
23 C1b C 17.8935 -22.6454
24 C1b C 19.1556 -21.9443
25 C1b C 20.3475 -22.6454
26 C1b C 21.5395 -21.9443
27 C1b C 22.8015 -22.6454
28 C1b C 23.9935 -21.9443
29 C1b C 25.1853 -22.6454
30 C1b C 26.3773 -21.9443
31 C1b C 27.6393 -22.6454
32 C1b C 28.8313 -21.9443
33 C1b C 30.0232 -22.6454
34 C2b C 25.3957 -24.7488
35 C2b C 26.7980 -24.7488
36 C1b C 24.2038 -24.0477
37 C1b C 27.9899 -24.0477
38 C2b C 22.9418 -24.7488
39 C2b C 29.2519 -24.7488
40 C2b C 21.5395 -24.7488
41 C2b C 30.6542 -24.7488
42 C1b C 20.3475 -24.0477
43 C2b C 31.8461 -24.0477
44 C1b C 19.1556 -24.7488
45 C2b C 33.0380 -24.7488
46 C1c C 34.4403 -24.7488
47 C1b C 35.7024 -24.0477
48 C1b C 36.8943 -24.7488
49 C1b C 38.0862 -24.0477
50 C1b C 39.2781 -24.7488
51 C1a C 40.5402 -24.0477
52 C1b C 31.2433 -21.9542
53 C1a C 32.4265 -22.6504
54 O2a O 34.7972 -26.1250
55 O1a O 36.1360 -26.4952
BOND 54
1 1 2 1
2 1 3 1
3 1 4 1 #Up
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 12 17 1
17 17 18 1
18 18 19 1
19 16 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
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 32 33 1
33 34 35 2
34 34 36 1
35 35 37 1
36 36 38 1
37 37 39 1
38 38 40 2
39 39 41 2
40 40 42 1
41 41 43 1
42 42 44 1
43 43 45 2
44 44 11 1
45 45 46 1
46 46 47 1
47 47 48 1
48 48 49 1
49 49 50 1
50 50 51 1
51 33 52 1
52 52 53 1
53 46 54 1 #Down
54 54 55 1
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