HMDB0241940 RDKit 3D N-Stearoyl Cysteine 67 66 0 0 0 0 0 0 0 0999 V2000 5.0904 -1.8948 0.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1193 -2.6686 1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6432 -2.1770 3.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8525 -1.0116 3.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1412 0.3914 3.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 0.8533 1.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2127 0.5230 0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 0.9800 -0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 2.4325 -0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6403 3.3875 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2713 3.4657 -0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 3.6603 -2.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 2.4668 -3.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6015 1.2771 -2.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 1.6602 -3.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9845 0.5200 -2.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9203 0.1186 -1.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8702 -0.9809 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -1.4392 -1.9236 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0042 -1.5198 0.3037 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9288 -2.6055 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1522 -3.7424 1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2932 -5.0801 1.6144 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9396 -2.0753 1.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8925 -0.8827 1.9676 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9480 -2.9233 2.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 -1.3479 0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8442 -2.5697 0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7121 -1.1933 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2287 -2.9841 1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6159 -3.6973 1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 -3.0773 3.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5707 -2.1793 3.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7817 -1.2440 2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5419 -1.0713 4.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0122 0.7621 3.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2973 1.0609 3.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 2.0375 1.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3191 0.6368 1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2502 0.9102 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1295 -0.5829 0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4358 0.4863 -0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 0.4923 -1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 2.6394 -0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0491 2.6113 -1.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5464 3.3425 0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1041 4.4417 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3142 4.3014 -0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 2.5409 -0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 4.5143 -2.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 3.9623 -2.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 2.7675 -4.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3253 2.1743 -3.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4431 0.9602 -1.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 0.4355 -3.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3159 2.5002 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1578 1.8839 -4.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8127 -0.3598 -3.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0046 0.9106 -2.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -0.1492 -0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2273 0.9726 -0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4014 -1.1043 1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4401 -2.8958 -0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6563 -3.3319 2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -4.0430 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7677 -5.0083 2.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6966 -3.2406 1.4081 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 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 2 0 24 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 15 57 1 0 16 58 1 0 16 59 1 0 17 60 1 0 17 61 1 0 20 62 1 0 21 63 1 0 22 64 1 0 22 65 1 0 23 66 1 0 26 67 1 0 M END