Marvin 08271312352D 70 71 0 0 1 0 999 V2000 6.4094 -12.8819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4094 -13.7069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6949 -12.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6949 -14.1194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9804 -12.8819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9804 -13.7069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1238 -12.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 -14.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6949 -14.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2659 -14.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2659 -12.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5515 -12.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2673 -11.2319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2673 -12.0569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5528 -10.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5528 -12.4694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8383 -11.2319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8383 -12.0569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9818 -10.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9818 -12.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5528 -13.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 -10.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4094 -11.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6981 -11.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4091 -10.8029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1363 -11.2100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4037 -9.9782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8527 -10.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1418 -12.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5691 -11.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2801 -10.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9981 -11.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7092 -10.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4269 -11.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1380 -10.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8557 -11.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1182 -9.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8325 -9.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2631 -8.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5487 -8.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8342 -8.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1197 -8.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4053 -8.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6906 -8.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9762 -8.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2629 -9.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5484 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8340 -9.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1195 -9.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4050 -9.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6903 -9.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9759 -9.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2615 -9.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5472 -9.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1182 -8.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6921 -8.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6921 -9.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9777 -8.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9777 -9.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4066 -9.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1210 -9.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1211 -8.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4066 -8.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5669 -10.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2846 -11.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9958 -10.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7135 -11.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4247 -10.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1424 -11.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8536 -10.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 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 6 1 0 0 0 0 1 7 1 1 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 1 0 0 0 5 11 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 13 19 1 1 0 0 0 14 20 1 6 0 0 0 16 21 1 1 0 0 0 18 7 1 6 0 0 0 17 22 1 1 0 0 0 23 22 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 6 0 0 0 26 28 1 0 0 0 0 26 29 1 1 0 0 0 28 30 2 0 0 0 0 31 30 1 0 0 0 0 31 32 1 0 0 0 0 33 32 1 0 0 0 0 33 34 1 0 0 0 0 35 34 1 0 0 0 0 35 36 1 0 0 0 0 27 37 1 0 0 0 0 37 38 1 0 0 0 0 54 38 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 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 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 53 54 1 0 0 0 0 37 55 2 0 0 0 0 58 56 1 0 0 0 0 59 57 1 0 0 0 0 39 58 1 0 0 0 0 46 59 1 0 0 0 0 57 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 56 63 1 0 0 0 0 62 63 1 0 0 0 0 36 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 M END > CHEBI:75340 > beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-(hexacosanoyl)sphingosine > A β-D-galactosyl-(1→4)-β-D-glucosylceramide where the ceramide N-acyl group is specified as hexacosanoyl. > 3 > CHEBI:84784 > N-(hexacosanoyl)-1-b-lactosyl-sphing-4-enine; LacCer(d18:1/26:0); beta-lactosylceramide; beta-lactosyl-N-(hexacosanoyl)sphingosine; beta-LacCer; beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-hexacosanoylsphingosine > N-[(2S,3R,4E)-1-{[beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide; N-[(2S,3R,4E)-1-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide > C56H107NO13 > 1002.44770 > 1001.77424 > 0 > CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC > InChI=1S/C56H107NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h37,39,44-47,49-56,58-60,62-66H,3-36,38,40-43H2,1-2H3,(H,57,61)/b39-37+/t44-,45+,46+,47+,49-,50-,51+,52+,53+,54+,55+,56-/m0/s1 > IQRQEGPSHLXODZ-RDBBDEDXSA-N > LMSP0501AB08 > 21810611 $$$$