HMDB0285911 RDKit 3D PC(16:0/20:4(5Z,8Z,11Z,13E)-OH(15S)) 135134 0 0 0 0 0 0 0 0999 V2000 0.3110 -7.0743 5.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -7.2452 3.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2013 -6.0922 3.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3367 -5.8678 4.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2187 -4.6729 3.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7912 -4.8923 2.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7559 -3.9045 2.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4475 -2.4655 1.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2235 -1.6537 3.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9194 -0.2044 2.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0101 0.3790 1.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7838 1.8594 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7442 2.7108 2.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6571 4.1547 2.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5777 4.8532 1.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2934 4.6445 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8834 3.9040 -0.3748 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2166 5.3638 -0.1237 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7919 5.2609 -1.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2134 3.8542 -1.6948 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1295 3.6865 -0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 2.4605 -0.6098 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 2.4141 0.5915 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8970 1.8021 -0.0197 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0464 3.9852 1.1155 O 0 0 0 0 0 1 0 0 0 0 0 0 1.2240 1.5287 1.9403 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 1.7250 2.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4998 0.9511 3.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2338 1.2360 4.7329 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.5903 1.8167 5.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7678 -0.0049 5.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 2.0963 4.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 3.6762 -2.9908 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 2.6763 -3.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1626 1.9307 -3.2964 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 2.4285 -5.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4144 1.5364 -5.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 0.1939 -4.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1972 -0.7181 -4.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7631 -1.1753 -3.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2959 -0.7889 -2.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8753 -2.0528 -1.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3335 -2.5437 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3918 -1.8919 0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5601 -2.8170 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7744 -2.5520 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1384 -1.2399 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3870 -0.9985 -0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9843 0.1830 -1.4011 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3400 -0.1605 -1.7149 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3870 0.8461 -2.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2602 0.0398 -3.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7244 0.8800 -4.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3907 1.5061 -4.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 2.3254 -5.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4116 -7.1464 5.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 -5.9995 5.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 -7.6718 5.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -8.1908 3.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4534 -7.4554 2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5713 -5.2021 3.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6558 -6.3596 2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -5.6338 5.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 -6.7611 4.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9657 -4.5324 4.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4799 -3.8292 3.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9845 -4.9708 1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2682 -5.9186 2.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 -3.9227 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2343 -4.2781 1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6244 -2.3034 1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3692 -1.9926 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4747 -1.9678 3.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1864 -1.5421 3.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9315 -0.1954 2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8269 0.3342 3.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0181 0.2341 2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0083 -0.1350 0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6006 2.1614 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7948 1.8197 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7137 2.4547 3.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9748 2.3227 3.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6464 4.5249 2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7461 4.6367 3.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6117 4.6263 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7182 5.9731 1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 5.9741 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5703 5.5036 -2.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0113 3.1344 -1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 4.4895 -0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6242 3.8742 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7435 1.4039 1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2891 2.8220 2.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5665 1.2543 3.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5321 -0.1309 3.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0027 0.9874 6.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 2.4445 5.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1165 2.3739 6.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2677 0.2086 6.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0653 -0.7281 5.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5205 -0.4604 4.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2722 1.4737 4.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1991 2.9207 3.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6516 2.5886 5.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6391 1.9002 -5.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6614 3.3739 -5.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6102 1.2955 -6.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 2.0082 -4.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5139 0.3240 -3.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6768 -0.2514 -5.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5646 -1.0170 -5.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5986 -1.8558 -3.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4553 -0.1160 -2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 -0.2974 -1.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -2.5929 -2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8864 -3.5021 -0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6962 -0.9073 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 -1.8436 1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3802 -3.8226 0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5351 -3.3227 0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4472 -0.4341 -0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0594 -1.8715 -0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1562 0.9914 -0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8069 0.7154 -1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 1.3256 -2.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0537 1.7254 -2.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1851 -0.4374 -4.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5118 -0.7994 -3.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 0.2737 -5.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4392 1.7045 -5.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6404 0.7523 -4.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5457 2.2406 -3.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8088 2.8279 -6.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3389 1.7384 -6.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2855 3.1537 -5.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 20 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 19 87 1 0 19 88 1 0 20 89 1 1 21 90 1 0 21 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 30 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 32104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 46120 1 0 47121 1 0 48122 1 0 49123 1 1 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 M CHG 2 25 -1 29 1 M END