Ketcher 05031610432D 1 1.00000 0.00000 0 53 53 0 1 0 999 V2000 2.7742 -38.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7742 -37.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9082 -38.6416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -38.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -36.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9082 -36.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 -38.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -39.6415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 -37.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3721 -38.6416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3721 -36.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2379 -37.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1039 -36.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9699 -37.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1039 -35.6419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8358 -36.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9699 -38.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9082 -35.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8358 -35.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -35.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -34.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4366 -37.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4366 -38.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5706 -36.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5706 -38.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7047 -37.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7047 -38.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3026 -36.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1686 -37.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3025 -38.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1685 -38.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0344 -36.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9002 -37.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0343 -38.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9002 -38.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8943 -34.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8943 -35.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0282 -33.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0282 -35.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1623 -34.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1623 -35.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2964 -33.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4304 -34.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2964 -35.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4305 -35.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7602 -33.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6261 -34.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7602 -35.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6261 -35.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5645 -33.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6987 -34.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5647 -35.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6988 -35.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 6 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 1 0 0 4 7 1 0 0 0 4 8 1 1 0 0 5 9 1 0 0 0 7 10 1 6 0 0 9 11 1 1 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 15 1 6 0 0 14 16 1 0 0 0 14 17 1 1 0 0 7 9 1 0 0 0 6 18 1 0 0 0 20 19 1 0 0 0 20 15 1 0 0 0 20 21 2 0 0 0 24 22 1 0 0 0 25 23 1 0 0 0 26 24 1 0 0 0 27 25 1 0 0 0 28 22 1 0 0 0 29 28 1 0 0 0 30 23 1 0 0 0 31 30 1 0 0 0 32 29 1 0 0 0 33 32 1 0 0 0 34 31 1 0 0 0 35 33 1 0 0 0 35 34 1 0 0 0 26 16 1 0 0 0 38 36 1 0 0 0 39 37 1 0 0 0 40 38 1 0 0 0 41 39 1 0 0 0 42 40 1 0 0 0 43 42 1 0 0 0 44 41 1 0 0 0 45 44 1 0 0 0 46 36 1 0 0 0 47 46 1 0 0 0 48 37 1 0 0 0 49 47 1 0 0 0 49 48 1 0 0 0 50 43 1 0 0 0 51 50 1 0 0 0 52 45 1 0 0 0 53 52 1 0 0 0 53 19 1 0 0 0 M END > CHEBI:84703 > beta-D-glucosyl-(1<->1')-N-eicosanoylsphinganine > A β-D-glucosyl-(1↔1ʼ)-N-acylsphinganine in which the acyl group specified is eicosanoyl. > 3 > N-(eicosanoyl)-1-beta-glucosyl-sphinganine; GlcCer(d18:0/20:0); C20DH GlcCer > N-[(2S,3R)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadecan-2-yl]icosanamide > C44H87NO8 > 758.165 > 757.64317 > 0 > [C@H]1([C@H](O[C@@H](OC[C@@H]([C@@H](CCCCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCCCC)=O)[C@@H]([C@H]1O)O)CO)O > InChI=1S/C44H87NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h37-39,41-44,46-47,49-51H,3-36H2,1-2H3,(H,45,48)/t37-,38+,39+,41+,42-,43+,44+/m0/s1 > JMHGBISEAGEKAI-NTSAOYMNSA-N > LMSP0501AA20 $$$$