HMDB0304123 RDKit 3D 3-dehydrosphinganine (C20) 62 61 0 0 0 0 0 0 0 0999 V2000 -6.9254 2.6859 1.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6470 3.0189 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9069 1.8709 -0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0782 0.6670 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 0.9577 -0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7843 -0.3062 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3495 0.0821 -0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 -1.0236 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4656 -1.6126 1.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4423 -2.7094 1.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9782 -2.2423 1.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9702 -3.3540 1.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3859 -2.8619 1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 -2.2638 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1012 -1.8362 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 -1.2178 -1.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7135 0.0236 -1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9005 1.0687 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2463 1.0317 0.2834 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8883 2.1448 -0.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 1.9972 -2.2239 N 0 0 0 0 0 1 0 0 0 0 0 0 5.2032 3.4846 -0.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2413 3.6733 -1.8117 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4570 1.7145 1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0032 2.7255 2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6026 3.4533 2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2282 3.9125 -0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5776 3.3464 0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9940 1.6653 -0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6445 2.2190 -1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3376 0.1523 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2983 -0.0787 -1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3108 1.7531 0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3104 1.3367 -1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0956 -0.6352 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0698 -1.0299 -1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 0.3800 -1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1541 0.9808 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 -1.7948 -0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3513 -0.5336 -0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 -0.8530 2.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4515 -2.0266 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6238 -3.4874 0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5168 -3.2045 2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2552 -1.3861 1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0777 -1.9146 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9229 -3.8250 2.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 -4.1622 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0938 -3.6661 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5527 -2.0360 1.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9705 -1.4249 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -3.0188 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2374 -1.0567 0.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7344 -2.7234 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4336 -1.9247 -2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5647 -0.8842 -1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6444 -0.1681 -1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1257 0.4241 -2.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6532 2.1494 -0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 3.5361 0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9836 4.2827 -0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 4.5243 -1.6836 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 20 22 1 0 22 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 14 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 16 56 1 0 17 57 1 0 17 58 1 0 20 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 M CHG 1 21 1 M RAD 1 21 2 M END