Mrv1572004261613542D 74 73 0 0 1 0 999 V2000 -3.3296 5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9585 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3296 6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9585 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0441 6.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0441 7.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7586 7.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3874 2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 7.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3874 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 7.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 7.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 6.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9585 -0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6164 6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2440 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6164 5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5296 -0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8151 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8151 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7586 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8151 2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0441 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8151 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3296 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6151 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3862 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1053 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2803 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4717 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2427 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2427 3.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9007 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5178 7.4763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9007 2.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 4.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 6.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9572 6.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1862 3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 6.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9572 5.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9572 3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9572 6.0474 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.7586 6.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3874 3.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3296 7.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9585 2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 6.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1019 1.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 8.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9585 1.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 6.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9585 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3309 6.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2440 1.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 5.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 -0.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6164 3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5296 1.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3862 2.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5296 2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4717 4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 18 2 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 26 24 2 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 2 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 40 39 1 0 0 0 0 43 41 1 0 0 0 0 43 42 1 0 0 0 0 44 37 1 0 0 0 0 45 38 1 0 0 0 0 46 39 1 0 0 0 0 47 44 2 0 0 0 0 48 45 2 0 0 0 0 51 41 1 0 0 0 0 51 44 1 0 0 0 0 52 40 1 0 0 0 0 53 42 1 0 0 0 0 43 54 1 1 0 0 0 54 45 1 0 0 0 0 55 49 1 0 0 0 0 55 50 2 0 0 0 0 55 52 1 0 0 0 0 55 53 1 0 0 0 0 56 5 1 0 0 0 0 57 6 1 0 0 0 0 58 7 1 0 0 0 0 59 8 1 0 0 0 0 60 11 1 0 0 0 0 61 12 1 0 0 0 0 62 13 1 0 0 0 0 63 14 1 0 0 0 0 64 17 1 0 0 0 0 65 18 1 0 0 0 0 66 19 1 0 0 0 0 67 20 1 0 0 0 0 68 23 1 0 0 0 0 69 24 1 0 0 0 0 70 25 1 0 0 0 0 71 26 1 0 0 0 0 72 30 1 0 0 0 0 73 32 1 0 0 0 0 43 74 1 1 0 0 0 M END > CHEM038754 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCCN)OC(=O)CCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CC > InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,30,32,43H,3-4,9-10,15-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+,25-23+,26-24+,32-30+/t43-/m1/s1 > VIPNJNOYNFESAL-CUHXSOCASA-N > C45H72NO8P > 786.044 > 785.49955528 > 5 > 127 > 91.82088593781515 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propoxy]phosphinic acid > 7.89 > 10.750169769136752 > -6.91 > 0 > 0 > 0 > 1.868800313657987 > 9.999929336362278 > 134.38000000000002 > 237.86130000000009 > 38 > 0 > 9.74e-05 g/l > 2-aminoethoxy((2R)-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propoxy)phosphinic acid > 0 > PE(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) $$$$