52922027 -OEChem-06191308142D 135137 0 1 0 0 0 0 0999 V2000 6.4617 4.5463 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.6859 -4.6341 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.4356 -3.7917 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 15.1504 -2.6305 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.4389 -6.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7887 -5.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7849 -7.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7430 -4.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5831 -3.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6806 -4.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1282 -2.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6912 -4.7369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4840 -4.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1726 -2.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3872 -3.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2393 -1.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3600 -1.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9408 -3.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2727 0.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7024 2.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8135 4.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7147 -8.4730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7147 -10.0825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9024 -8.2778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0364 -9.7778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9024 -11.2778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6245 0.1111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 2.4335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9786 -6.2152 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.9769 -7.2152 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.0281 -5.9045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0253 -7.5225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7207 -4.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7684 -8.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2983 -9.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7684 -9.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9024 -10.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8875 -1.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0364 -8.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8653 -1.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9097 -1.0501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0971 -0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6779 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6023 -0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3172 1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3394 1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0320 2.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7469 3.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7691 3.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4730 6.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4952 6.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7803 5.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1878 7.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1765 5.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4839 4.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1988 5.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7581 5.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8582 8.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8914 6.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5508 9.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5730 9.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 7.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 8.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2657 10.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 8.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6175 10.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2879 10.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9693 9.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6397 10.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5306 -6.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8789 -7.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4159 -5.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4128 -7.6184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3349 -4.8677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7435 -4.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3517 -7.5531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9183 -9.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0441 -5.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0853 -3.2758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4794 -1.3841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8880 -0.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3035 -0.9202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4994 -8.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7033 -0.4119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2270 0.3243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4909 -0.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0717 -2.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5479 -2.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2841 -2.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3540 -4.7053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3655 -11.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4393 -11.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6331 -1.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2089 -0.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9500 -1.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9313 1.1479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3399 1.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7253 1.1871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 0.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6386 1.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 3.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7696 4.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1550 3.5094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 2.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0871 6.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4957 7.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8810 6.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4724 6.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1662 5.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7576 5.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 8.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6399 7.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7907 5.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1992 6.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5846 5.8318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 5.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6282 5.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3643 5.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8881 6.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4644 8.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5055 6.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9141 7.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9665 10.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 9.7514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5503 9.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 6.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 8.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6813 11.2482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6575 8.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8246 9.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3842 9.6814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1427 9.9263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0973 11.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 9.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 11.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 49 1 0 0 0 0 1 55 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 3 15 2 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 4 18 2 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 76 1 0 0 0 0 8 33 1 0 0 0 0 9 79 1 0 0 0 0 10 78 1 0 0 0 0 13 90 1 0 0 0 0 14 40 1 0 0 0 0 41 16 1 1 0 0 0 16 93 1 0 0 0 0 17 95 1 0 0 0 0 19 44 2 0 0 0 0 20 47 2 0 0 0 0 21 55 2 0 0 0 0 32 22 1 6 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 35 2 0 0 0 0 23 36 1 0 0 0 0 24 34 2 0 0 0 0 24 39 1 0 0 0 0 25 37 1 0 0 0 0 25 39 2 0 0 0 0 26 37 1 0 0 0 0 26 91 1 0 0 0 0 26 92 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 94 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28100 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 70 1 0 0 0 0 30 32 1 0 0 0 0 30 71 1 0 0 0 0 31 33 1 6 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 36 1 0 0 0 0 35 77 1 0 0 0 0 36 37 2 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 38 42 1 0 0 0 0 38 43 1 0 0 0 0 39 83 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 41 44 1 0 0 0 0 41 82 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 43 87 1 0 0 0 0 43 88 1 0 0 0 0 43 89 1 0 0 0 0 45 46 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 46 47 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 48 49 1 0 0 0 0 48101 1 0 0 0 0 48102 1 0 0 0 0 49103 1 0 0 0 0 49104 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50105 1 0 0 0 0 50106 1 0 0 0 0 51 53 1 0 0 0 0 51107 1 0 0 0 0 51108 1 0 0 0 0 52 57 1 0 0 0 0 52109 1 0 0 0 0 52110 1 0 0 0 0 53 58 1 0 0 0 0 53111 1 0 0 0 0 53112 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 54113 1 0 0 0 0 54114 1 0 0 0 0 56 59 1 0 0 0 0 56115 1 0 0 0 0 56116 1 0 0 0 0 57117 1 0 0 0 0 57118 1 0 0 0 0 57119 1 0 0 0 0 58 60 2 0 0 0 0 58120 1 0 0 0 0 59 62 1 0 0 0 0 59121 1 0 0 0 0 59122 1 0 0 0 0 60 61 1 0 0 0 0 60123 1 0 0 0 0 61 64 1 0 0 0 0 61124 1 0 0 0 0 61125 1 0 0 0 0 62 63 2 0 0 0 0 62126 1 0 0 0 0 63 65 1 0 0 0 0 63127 1 0 0 0 0 64 67 2 0 0 0 0 64128 1 0 0 0 0 65 68 1 0 0 0 0 65129 1 0 0 0 0 65130 1 0 0 0 0 66 67 1 0 0 0 0 66 69 1 0 0 0 0 66131 1 0 0 0 0 66132 1 0 0 0 0 67133 1 0 0 0 0 68 69 2 0 0 0 0 68134 1 0 0 0 0 69135 1 0 0 0 0 M END > 52922027 > 1 > 1880 > 22 > 9 > 34 > AAADcfB/vgNAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgQQCCAADhzl1waH8L/MFxioQSdzdIKAgC0xELAJWKFoVBiDWBpgyUAeRAgPlgL7ACP6MAIJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > S-[2-[3-[[(2R)-4-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate > (5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenethioic acid S-[2-[[3-[[(2R)-4-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester > S-[2-[3-[[(2R)-4-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate > S-[2-[3-[[(2R)-4-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate > (5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenethioic acid S-[2-[3-[[(2R)-4-[[[(2R,5R)-5-adenin-9-yl-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ester > InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34?,35?,36+,40-/m1/s1 > JDEPVTUUCBFJIW-LBEQMTMHSA-N > 0.9 > 1053.344875 > C41H66N7O17P3S > 1053.985726 > CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O > CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1C(C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O > 389 > 1053.344875 > 0 > 69 > 3 > 2 > 4 > 0 > 0 > 1 > 12 > 1 5 255 > 41 16 5 32 22 6 22 34 8 22 35 8 23 35 8 23 36 8 24 34 8 24 39 8 25 37 8 25 39 8 31 33 6 34 36 8 36 37 8 29 6 3 30 7 3 $$$$