Ketcher 10192016082D 1 1.00000 0.00000 0 51 50 0 1 0 999 V2000 58.1926 -3.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.3263 -3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4605 -3.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.9246 -3.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.0586 -3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 61.6569 -3.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.7906 -3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.5226 -3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.3887 -3.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.2548 -3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.5226 -2.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 63.3887 -4.8898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 65.1206 -3.8897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 55.5945 -3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7284 -3.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.8624 -3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.9962 -3.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1302 -3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.2644 -3.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.3982 -3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5323 -3.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.2547 -5.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.1206 -4.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 64.2547 -6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.3887 -6.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.5226 -6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 61.6567 -6.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.7906 -6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.9246 -6.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.0586 -6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.1926 -6.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.3264 -6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4605 -6.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.5945 -6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7282 -6.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.8624 -6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.9963 -6.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1302 -6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.2644 -6.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.3983 -6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5325 -6.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5325 -7.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.3986 -8.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.2645 -7.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1306 -8.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.9967 -7.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.8626 -8.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7286 -7.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.5946 -8.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4606 -7.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.3265 -8.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 5 4 1 0 0 0 1 5 1 0 0 0 7 6 2 0 0 0 4 7 1 0 0 0 8 6 1 0 0 0 8 11 1 1 0 0 8 9 1 0 0 0 9 12 1 6 0 0 9 10 1 0 0 0 10 13 1 0 0 0 3 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 23 22 2 0 0 0 24 22 1 0 0 0 12 22 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 43 44 1 0 0 0 M END > CHEBI:157643 > N-(omega-hydroxyoctacosanoyl)sphingosine > 2 > N-(omega-hydroxyoctacosanoyl)sphing-4E-enine; N-(28-hydroxyoctacosanoyl)-sphing-4-enine > C46H91NO4 > 722.237 > 721.69481 > 0 > C(CCCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCO)CO > InChI=1S/C46H91NO4/c1-2-3-4-5-6-7-8-22-25-28-31-34-37-40-45(50)44(43-49)47-46(51)41-38-35-32-29-26-23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-27-30-33-36-39-42-48/h37,40,44-45,48-50H,2-36,38-39,41-43H2,1H3,(H,47,51)/b40-37+/t44-,45+/m0/s1 > BYBVAXYUPPNNKR-SVYKYBGCSA-N > 28248300 $$$$