Ketcher 03241616522D 1 1.00000 0.00000 0 61 61 0 1 0 999 V2000 5.1901 -2.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1901 -1.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3263 -3.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3263 -1.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4626 -2.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4626 -1.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0537 -3.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9174 -2.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0537 -1.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9174 -1.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7811 -3.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6447 -2.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7809 -1.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6446 -1.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5083 -3.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3718 -2.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2355 -3.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0991 -2.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1065 -3.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0991 -1.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2892 -4.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4254 -5.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4254 -6.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2892 -6.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1529 -6.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1529 -5.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2892 -3.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0168 -4.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0168 -6.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5615 -6.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5615 -4.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2892 -7.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6980 -5.0356 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.8340 -4.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9703 -5.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6980 -6.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6980 -4.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1065 -4.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2427 -5.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3788 -4.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6056 -9.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6056 -8.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -7.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -6.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6056 -6.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6056 -5.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4695 -4.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -5.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -4.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0605 -5.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7880 -5.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6514 -4.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5152 -5.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4695 -9.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -9.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -9.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0558 -9.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0531 -8.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9136 -7.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5154 -6.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 6 5 2 0 0 0 7 1 1 0 0 0 8 7 1 0 0 0 9 2 1 0 0 0 10 9 1 0 0 0 11 8 1 0 0 0 12 11 1 0 0 0 13 10 1 0 0 0 14 13 1 0 0 0 15 12 1 0 0 0 16 15 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 18 20 2 0 0 0 21 22 1 0 0 0 21 26 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 21 27 1 6 0 0 26 28 1 1 0 0 25 29 1 6 0 0 23 30 1 1 0 0 22 31 1 1 0 0 24 32 1 1 0 0 31 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 33 36 2 0 0 0 33 37 1 0 0 0 35 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 38 19 1 1 0 0 42 41 1 0 0 0 43 42 1 0 0 0 44 43 2 0 0 0 45 44 1 0 0 0 46 45 1 0 0 0 47 46 2 0 0 0 48 47 1 0 0 0 49 48 1 0 0 0 50 49 1 0 0 0 51 50 1 0 0 0 52 51 1 0 0 0 53 52 1 0 0 0 54 53 1 0 0 0 40 54 1 0 0 0 61 54 2 0 0 0 55 41 2 0 0 0 57 56 1 0 0 0 55 57 1 0 0 0 58 56 2 0 0 0 59 58 1 0 0 0 60 59 1 0 0 0 M END > CHEBI:89251 > 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phospho-1D-myo-inositol > A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (8Z,11Z,14Z,17Z)-icosatetraenoyl and (11Z)-octadecenoyl respectively. > 3 > PIno(38:5); PIno(20:4w3/18:1w7); PIno(20:4n3/18:1n7); PIno(20:4/18:1); PI(38:5); PI(20:4w3/18:1w7); PI(20:4n3/18:1n7); PI(20:4/18:1); PI(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)); Phosphatidylinositol(38:5); Phosphatidylinositol(20:4w3/18:1w7); Phosphatidylinositol(20:4n3/18:1n7); Phosphatidylinositol(20:4/18:1); [(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid; 1-Eicsoatetraenoyl-2-vaccenoyl-sn-glycero-3-phosphoinositol; 1-(8Z,11Z,14Z,17Z-Eicosapentaenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol) > (2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-{[(11Z)-octadec-11-enoyl]oxy}propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate > C47H81O13P > 885.114 > 884.54148 > 0 > C(C/C=C\CCCCCC)CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)=O > InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22-23,39,42-47,50-54H,3-4,6,8-10,12,15,18,20-21,24-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,16-14-,19-17-,23-22-/t39-,42-,43-,44+,45-,46-,47-/m1/s1 > VIGFKXLWKPBIQI-LIIRBWKMSA-N > 20671299 $$$$