Ketcher 06261512062D 1 1.00000 0.00000 0 56 55 0 1 0 999 V2000 22.3916 -4.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2576 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6596 -4.5115 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.0616 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1955 -4.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9276 -4.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5255 -5.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9896 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3294 -5.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7935 -5.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1238 -4.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6597 -3.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1238 -3.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0617 -6.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6596 -5.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9898 -4.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5350 -4.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -5.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4635 -4.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5974 -5.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4635 -3.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7313 -4.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8652 -5.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9993 -4.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1331 -5.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2670 -4.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4009 -5.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6689 -6.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5348 -6.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4009 -6.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2670 -6.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1331 -6.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9991 -6.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8652 -6.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7313 -6.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9278 -10.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9278 -11.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0618 -12.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0618 -13.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1959 -13.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3298 -13.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4638 -13.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5978 -13.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5978 -12.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7317 -11.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7316 -10.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5977 -10.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5977 -9.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4637 -8.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3298 -9.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1957 -8.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1956 -7.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0618 -10.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0618 -9.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9277 -7.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0617 -7.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 12 3 2 0 0 0 3 15 1 0 0 0 4 14 1 6 0 0 4 5 1 0 0 0 4 6 1 0 0 0 1 7 1 0 0 0 7 3 1 0 0 0 9 5 1 0 0 0 10 6 1 0 0 0 3 10 1 0 0 0 8 11 1 0 0 0 11 2 1 0 0 0 13 11 1 0 0 0 11 16 1 0 0 0 27 17 1 0 0 0 17 18 2 0 0 0 28 18 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 19 9 1 0 0 0 20 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 33 32 1 0 0 0 34 33 1 0 0 0 35 34 1 0 0 0 53 36 1 0 0 0 36 37 2 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 2 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 2 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 2 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 2 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 56 1 0 0 0 53 54 1 0 0 0 56 55 2 0 0 0 56 14 1 0 0 0 M CHG 2 11 1 15 -1 M END > CHEBI:86187 > 1-[(9Z)-octadecenoyl]-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine > A phosphatidylcholine 38:6 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl respectively. > 3 > Phosphatidylcholine(18:1w9/20:5w3); Phosphatidylcholine(18:1n9/20:5n3); PC(18:1w9/20:5w3); PC(18:1n9/20:5n3); PC(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)); GPCho(18:1w9/20:5w3); GPCho(18:1n9/20:5n3); 1-Oleoyl-2-eicosapentaenoyl-sn-glycero-3-phosphocholine > (2R)-2-{[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy}-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate > C46H80NO8P > 806.10310 > 805.56216 > 0 > CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-25,27,31,33,44H,6-7,9,11-13,15,17-19,23,26,28-30,32,34-43H2,1-5H3/b10-8-,16-14-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1 > PAQLDAUPMINLDS-UTNJSSBTSA-N > LMGP01010907 $$$$