Ketcher 11211710212D 1 1.00000 0.00000 0 46 47 0 1 0 999 V2000 8.3253 -36.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3253 -37.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4592 -35.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4592 -37.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5933 -36.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5933 -37.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1914 -35.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1914 -37.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4592 -38.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7273 -37.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7273 -35.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8612 -36.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0631 -36.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9234 -35.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7951 -36.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6553 -35.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5271 -36.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3871 -35.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2590 -36.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1192 -35.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9909 -36.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8510 -35.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7229 -36.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5829 -35.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4548 -36.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3149 -35.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1867 -36.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8068 -37.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6436 -34.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 -34.6593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0418 -34.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8456 -34.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7116 -34.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5777 -34.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4438 -34.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3098 -34.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1758 -34.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0379 -33.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9796 -34.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0467 -35.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9185 -36.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6507 -36.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6507 -37.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7846 -35.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7846 -37.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9185 -37.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 1 0 0 0 1 7 1 6 0 0 2 8 1 6 0 0 4 9 1 1 0 0 6 10 1 1 0 0 5 11 1 1 0 0 12 11 1 0 0 0 13 7 1 0 0 0 14 13 1 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 18 17 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 21 20 1 0 0 0 22 21 1 0 0 0 23 22 1 0 0 0 24 23 1 0 0 0 25 24 1 0 0 0 26 25 1 0 0 0 27 26 1 0 0 0 15 28 1 1 0 0 16 29 1 6 0 0 14 30 1 6 0 0 30 31 1 0 0 0 33 32 1 0 0 0 34 33 1 0 0 0 35 34 1 0 0 0 36 35 1 0 0 0 37 36 1 0 0 0 31 37 1 0 0 0 31 38 2 0 0 0 32 39 1 0 0 0 27 40 1 0 0 0 40 41 1 0 0 0 43 42 1 0 0 0 44 42 2 0 0 0 45 43 2 0 0 0 41 44 1 0 0 0 46 45 1 0 0 0 46 41 2 0 0 0 M END > CHEBI:139113 > N-[(2S,3S,4R)-1-(alpha-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide > A synthetic sphingoid in which C16 phytosphingosine is substituted at O-1, C-16 and N with respectively an α-D-galactopyranosyl group, a phenyl group and an octanoyl group. > 3 > 1-O-alpha-D-galactopyranosyl-N-octanoyl-16-phenyl-(C16 phytosphingosine) > N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide > C36H63NO9 > 653.888 > 653.45028 > 0 > [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCC=2C=CC=CC2)O)O)NC(CCCCCCC)=O > InChI=1S/C36H63NO9/c1-2-3-4-11-19-24-31(40)37-28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)32(41)29(39)23-18-13-10-8-6-5-7-9-12-15-20-27-21-16-14-17-22-27/h14,16-17,21-22,28-30,32-36,38-39,41-44H,2-13,15,18-20,23-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1 > YDGPBAWHWVHKQP-QNAIHFNASA-N > 7LM > 28655912 $$$$