HMDB0241939 RDKit 3D N-Stearoyl Aspartic acid 69 68 0 0 0 0 0 0 0 0999 V2000 -8.0013 -1.7382 2.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3950 -1.4342 0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6855 -2.3483 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1541 -2.1232 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4745 -3.0084 -0.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0222 -3.1215 -0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1158 -2.0005 -1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0776 -0.8670 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0635 0.2260 -0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -0.3677 -0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3803 0.6510 -0.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2177 1.2870 -2.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 2.2995 -2.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3966 3.5529 -1.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7691 3.6564 -0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0345 3.1646 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 1.7495 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7761 1.6173 0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3628 2.6027 1.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3736 0.3321 0.6932 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6665 0.1637 1.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5559 -0.8865 2.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8771 -1.0426 3.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4097 -0.0956 3.6618 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5492 -2.2510 2.9495 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6802 -0.3405 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2842 -0.5262 -0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9728 -0.5820 0.7169 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8208 -1.4999 3.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6889 -2.7969 2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0882 -1.1488 2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1751 -0.3642 0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4805 -1.5612 0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9713 -2.0291 -1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9505 -3.3750 0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0691 -1.0306 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9539 -2.3267 1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9292 -2.8322 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8729 -4.0684 -0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6807 -3.6547 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 -3.9475 -1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1923 -1.6389 -2.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0527 -2.4341 -1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0468 -0.3420 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7837 -1.1920 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4109 0.6468 -1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1113 0.9595 0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 -0.8240 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6027 -1.1609 -1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 0.0513 -1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 1.3431 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 0.5109 -3.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 1.7172 -2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 1.7388 -2.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9737 2.5204 -3.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 4.1908 -2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1532 4.1834 -2.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9352 3.4491 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8224 4.8297 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0788 3.4855 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 3.7436 -0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7521 1.1059 0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4889 1.2570 -1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8693 -0.4885 0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0466 1.0898 1.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7496 -0.6000 3.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 -1.8567 1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5264 -2.3615 2.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5380 0.1181 1.1684 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 23 24 2 0 23 25 1 0 21 26 1 0 26 27 2 0 26 28 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 14 57 1 0 15 58 1 0 15 59 1 0 16 60 1 0 16 61 1 0 17 62 1 0 17 63 1 0 20 64 1 0 21 65 1 0 22 66 1 0 22 67 1 0 25 68 1 0 28 69 1 0 M END