53479359 CDK 0314222200 58 57 0 0 0 0 0 0 0 0999 V2000 5.2223 0.1568 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 0.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8098 0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6348 -0.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 1.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 3.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 -1.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 0.1568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 0.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 0.5692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6513 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 4.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 3.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 5.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 3.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 -1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 5.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 -2.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 -0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 -3.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 6.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 -3.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 -8.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 -8.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9381 6.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 -7.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 -9.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 -4.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6526 6.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 -4.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 -6.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 -9.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 -5.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 -6.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 -5.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3671 6.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 -6.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0815 6.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0815 5.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7960 5.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5105 5.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5105 6.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2250 6.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2250 7.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5105 7.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5105 8.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7960 9.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0815 8.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3671 9.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 15 1 0 0 0 0 3 17 1 0 0 0 0 16 4 1 1 0 0 0 4 28 1 0 0 0 0 7 18 1 0 0 0 0 7 27 1 0 0 0 0 8 27 2 0 0 0 0 9 28 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 25 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 28 1 0 0 0 0 25 30 1 0 0 0 0 26 29 1 0 0 0 0 29 31 1 0 0 0 0 30 34 2 0 0 0 0 31 37 2 0 0 0 0 32 33 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 34 38 1 0 0 0 0 35 40 1 0 0 0 0 36 41 1 0 0 0 0 37 39 1 0 0 0 0 38 45 1 0 0 0 0 39 44 1 0 0 0 0 40 43 2 0 0 0 0 42 43 1 0 0 0 0 42 46 1 0 0 0 0 44 46 2 0 0 0 0 45 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 5 -1 M CHG 1 10 1 M END > CHEBI:190179 > PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) > 2 > [(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate > C48H80NO8P > 830.141 > 829.56216 > 0 > P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)([O-])=O > InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,28,30-31,33,46H,6-7,9,11-13,18-19,23,27,29,32,34-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-/t46-/m1/s1 > JZRVOSBBLOOKKL-KZXZEBSASA-N $$$$