Marvin 10041115412D 58 58 0 0 1 0 999 V2000 12.4030 -5.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6886 -5.9010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6886 -6.7259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9739 -5.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9739 -7.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2594 -5.9010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2594 -6.7259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4030 -7.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5451 -7.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5451 -5.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8306 -5.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2860 -4.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9918 -4.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1344 -4.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9659 -5.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6889 -5.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3945 -6.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1173 -5.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8230 -6.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5460 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2517 -6.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9745 -5.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5632 -4.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8575 -4.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2600 -5.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5373 -5.9457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8315 -5.5184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1086 -5.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4288 -4.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5200 -6.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8487 -4.6936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1242 -4.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4203 -4.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 -3.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2371 -3.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9616 -3.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6656 -3.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3899 -3.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 -3.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8184 -3.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5227 -3.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2470 -3.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5534 -4.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2777 -4.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9820 -4.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7064 -4.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4105 -4.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1349 -4.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8390 -4.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5634 -4.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2674 -4.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9918 -4.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6958 -4.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1039 -3.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8495 -4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -4.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1046 -3.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8088 -3.2905 0.0000 C 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 1 1 6 0 0 0 3 8 1 6 0 0 0 7 9 1 1 0 0 0 6 10 1 1 0 0 0 11 10 1 0 0 0 0 13 12 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 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 22 13 1 0 0 0 0 12 23 1 0 0 0 0 24 14 1 0 0 0 0 23 24 1 0 0 0 0 25 15 1 0 0 0 0 26 25 1 0 0 0 0 26 30 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 1 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 53 33 1 0 0 0 0 34 35 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 41 42 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 32 54 2 0 0 0 0 58 34 1 0 0 0 0 55 43 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 27 31 1 6 0 0 0 M END > CHEBI:63002 > 1-O-(3-deoxy-alpha-D-galactopyranosyl)-N-hexacosanoylsphinganine > A glycodohydroceramide having a 3-deoxy-α-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen. > 3 > N-{(2S,3R)-1-[(3-deoxy-alpha-D-galactopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide; 3-deoxy-Galalpha-Cer(d18:0/26:0); 3',4''-deoxy-alpha-GalCer; (2S,3R)-1-(3''-deoxy-alpha-D-galactopyranosyl)-2-hexacosanoylaminooctadecane-3-ol > N-{(2S,3R)-1-[(3-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide > C50H99NO7 > 826.32360 > 825.74215 > 0 > CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)C[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC > InChI=1S/C50H99NO7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-49(56)51-44(43-57-50-47(55)41-46(54)48(42-52)58-50)45(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h44-48,50,52-55H,3-43H2,1-2H3,(H,51,56)/t44-,45+,46+,47+,48+,50-/m0/s1 > XFTWWKOPEFGPIP-AYIWZJAFSA-N > 20130151 > 19535248; 21376639 $$$$