Marvin 10011312412D 43 43 0 0 1 0 999 V2000 4.7337 -6.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8771 -4.8565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8771 -5.6815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1626 -4.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1626 -6.0940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4482 -4.8565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4482 -5.6815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5916 -4.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5916 -6.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1626 -6.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7337 -4.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0193 -4.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3080 -4.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0189 -4.4275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7461 -4.8346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4625 -4.4115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7516 -5.6597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1790 -4.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8898 -4.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6078 -4.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3190 -4.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0366 -4.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7478 -4.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4654 -4.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1766 -4.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8943 -4.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6054 -4.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3231 -4.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0344 -4.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7520 -4.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4632 -4.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9818 -3.2096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6964 -2.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4105 -3.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4120 -2.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6975 -3.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9831 -2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2684 -3.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5541 -2.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8395 -3.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1253 -2.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6964 -1.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4556 -3.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 2 8 1 6 0 0 0 3 9 1 6 0 0 0 5 10 1 1 0 0 0 7 1 1 1 0 0 0 6 11 1 1 0 0 0 12 11 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 1 0 0 0 16 18 1 0 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 41 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 33 42 2 0 0 0 0 14 32 1 6 0 0 0 16 43 1 6 0 0 0 M END > CHEBI:75784 > 1-O-(alpha-D-galactopyranosyl)-N-nonanoylphytosphingosine > A glycophytoceramide having an α-D-galctopyranosyl residue at the O-1 position and a nonanoyl group attached to the nitrogen. > 3 > Galalpha-Cer(t18:0/9:0); alpha-GalCer (C9); (2S,3S,4R)-1-O-(alpha-D-galactosyl)-N-nonanoyl-2-amino-1,3,4-octadecanetriol > N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]nonanamide > C33H65NO9 > 619.87050 > 619.46593 > 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)CCCCCCCC > InChI=1S/C33H65NO9/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-26(36)29(38)25(34-28(37)22-20-18-10-8-6-4-2)24-42-33-32(41)31(40)30(39)27(23-35)43-33/h25-27,29-33,35-36,38-41H,3-24H2,1-2H3,(H,34,37)/t25-,26+,27+,29-,30-,31-,32+,33-/m0/s1 > APBMWQDILBUFBL-BAHUXPPRSA-N > 23898038 $$$$