Marvin 11291015542D 54 54 0 0 1 0 999 V2000 13.5837 -14.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2437 -14.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9862 -14.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3887 -14.7983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -13.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8411 -14.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1400 -14.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4387 -14.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6962 -14.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9949 -14.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2937 -14.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5512 -14.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8366 -14.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8366 -15.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5512 -16.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5512 -16.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8366 -17.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8366 -18.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1222 -18.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4077 -18.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6932 -18.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8177 -16.0296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8177 -16.8546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5297 -17.2629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2417 -16.8546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2417 -16.0296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5297 -15.6129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9574 -15.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9556 -17.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5297 -18.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1038 -17.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1020 -15.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3888 -16.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6706 -16.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3863 -15.6233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0996 -16.0380 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0973 -16.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8153 -15.6276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5285 -16.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8177 -14.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2386 -15.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9510 -16.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6635 -15.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3761 -16.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0885 -15.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8011 -16.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7980 -16.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0823 -17.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3730 -16.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6573 -17.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9455 -16.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2286 -17.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5166 -16.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 25 26 1 0 0 0 0 23 33 1 1 0 0 0 26 27 1 0 0 0 0 33 34 1 0 0 0 0 39 41 1 6 0 0 0 27 28 1 0 0 0 0 29 35 1 0 0 0 0 35 36 1 0 0 0 0 27 29 1 6 0 0 0 40 42 1 0 0 0 0 36 37 1 0 0 0 0 42 43 1 0 0 0 0 23 24 1 0 0 0 0 43 44 1 0 0 0 0 36 5 1 6 0 0 0 44 45 1 0 0 0 0 26 30 1 6 0 0 0 45 46 1 0 0 0 0 37 38 1 1 0 0 0 46 47 1 0 0 0 0 23 28 1 0 0 0 0 47 48 1 0 0 0 0 37 39 1 0 0 0 0 48 49 1 0 0 0 0 25 31 1 1 0 0 0 49 50 1 0 0 0 0 39 40 1 0 0 0 0 50 51 1 0 0 0 0 24 25 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 24 32 1 1 0 0 0 53 54 1 0 0 0 0 M END > CHEBI:60748 > 1-O-(alpha-D-galactopyranosyl)-N-icosa-11,14-dienoylphytosphingosine > A glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an icosa-11,14-dienoyl group attached to the nitrogen. > 3 > Galalpha-Cer(t18:0/20:2); alpha-GalCer (C20:2) > (11Z,14Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide > C44H83NO9 > 770.13110 > 769.60678 > 0 > CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-39(48)45-36(35-53-44-43(52)42(51)41(50)38(34-46)54-44)40(49)37(47)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,36-38,40-44,46-47,49-52H,3-10,12,14-16,19-35H2,1-2H3,(H,45,48)/b13-11-,18-17-/t36-,37+,38+,40-,41-,42-,43+,44-/m0/s1 > WSXMIFGRYXQZQZ-ULOPOQRHSA-N > 11628406 > 19481452; 20100930; 20529677; 21376639; 21666690 $$$$