Mrv1652303252017142D 63 62 0 0 1 0 999 V2000 22.5974 -3.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9223 -3.5732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2473 -3.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2726 -3.5732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5721 -3.5732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3956 -4.3527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9476 -3.1834 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.5580 -2.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3374 -3.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6228 -2.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2979 -3.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9730 -2.7936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.6482 -3.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5101 -4.3824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2859 -2.7569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5494 -2.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3610 -2.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7117 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4260 -3.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1406 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8550 -3.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5694 -3.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2840 -3.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9985 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7129 -3.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4274 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1419 -3.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8563 -3.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5709 -3.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2853 -3.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9999 -3.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7142 -3.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4287 -3.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1432 -3.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8577 -3.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8577 -2.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6773 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1062 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8207 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5350 -4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2496 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9640 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6785 -4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3930 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1075 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8220 -4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5364 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2509 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9653 -4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6798 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3942 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1087 -4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8231 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5377 -4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2520 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9667 -4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6810 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6810 -5.5903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0259 -3.1215 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.7660 -3.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3905 -2.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6615 -3.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 6 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 2 14 1 1 0 0 0 13 15 1 0 0 0 0 12 16 1 6 0 0 0 12 17 1 1 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 2 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 2 0 0 0 0 5 35 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 6 1 0 0 0 0 58 59 2 0 0 0 0 61 60 2 0 0 0 0 62 60 1 0 0 0 0 63 60 1 0 0 0 0 15 60 1 0 0 0 0 M END > CHEM041382 > chemdb > [H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C46H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,43-44,47H,3-4,9-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1 > ITOOAMIXGLWMRB-VBIBJVFYSA-N > C46H76O13P2 > 899.0354 > 898.476115542 > 8 > 137 > 97.45400907073913 > 0 > 4 > 0 > 0 > [(2S)-3-({[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid > 7.29 > 11.474661554666667 > -5.98 > 0 > 0 > -3 > 2.0402061436989327 > 1.354879296415124 > -3.410499386302644 > 195.35 > 251.9226000000001 > 42 > 0 > 9.41e-04 g/l > (2S)-3-{[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid > 0 > PGP(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) $$$$