146036842 CDK 1019211303 60 59 0 0 0 0 0 0 0 0999 V2000 5.2223 2.0364 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7783 2.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 2.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 -0.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8098 2.7509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6348 1.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0158 1.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.0364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6526 -4.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6526 -4.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3671 -5.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9381 -3.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3671 -6.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9381 -2.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0815 -6.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 -2.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0815 -7.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 -1.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7960 -7.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 -1.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7960 -8.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 2.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4908 4.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0783 3.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5105 -9.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3158 4.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2533 3.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7283 5.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8408 3.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5533 5.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0158 3.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5105 -9.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 1.6239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9658 5.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 1.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6033 2.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7908 5.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2033 6.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7908 7.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2033 8.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7908 8.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9658 8.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5533 9.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7283 9.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3158 8.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4908 8.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8599 1.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8245 0.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3360 1.6544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9071 2.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3956 1.5935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 30 1 0 0 0 0 3 40 1 0 0 0 0 3 43 1 0 0 0 0 41 4 1 6 0 0 0 4 45 1 0 0 0 0 5 44 1 0 0 0 0 6 40 2 0 0 0 0 9 45 2 0 0 0 0 10 22 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 22 30 1 0 0 0 0 23 33 1 0 0 0 0 24 31 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 34 1 0 0 0 0 31 39 1 0 0 0 0 32 35 1 0 0 0 0 33 40 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 42 1 0 0 0 0 38 45 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 41 56 1 0 0 0 0 42 46 1 0 0 0 0 43 57 1 0 0 0 0 43 58 1 0 0 0 0 44 59 1 0 0 0 0 44 60 1 0 0 0 0 46 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 M CHG 1 7 -1 M CHG 1 10 1 M ISO 1 56 2 M ISO 1 57 2 M ISO 1 58 2 M ISO 1 59 2 M ISO 1 60 2 M END > CHEBI:181677 > PC 17:0-20:3-d5_ISTD > 2 > [(2R)-1,1,2,3,3-pentadeuterio-3-heptadecanoyloxy-2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate > C45H79D5NO8P > 803.170 > 802.62484 > 0 > P(OCC[N+](C)(C)C)(OC([C@](OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC)(C(OC(=O)CCCCCCCCCCCCCCCC)([2H])[2H])[2H])([2H])[2H])([O-])=O > InChI=1S/C45H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,43H,6-7,9,11-13,15,17-19,21,23-42H2,1-5H3/b10-8-,16-14-,22-20-/t43-/m1/s1/i41D2,42D2,43D > VJODNNQZGFWVNO-KBIBGJITSA-N $$$$