Mrv0541 02111514352D 60 61 0 0 0 0 999 V2000 -0.0724 -2.6392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0917 -1.8252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8408 -3.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5758 -3.0680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6137 -1.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8028 -1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 -3.4317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3032 -2.6718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5541 -3.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3248 -1.8577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2520 -3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5681 -4.2566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0032 -3.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0467 -1.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9683 -3.3991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2899 -4.6421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9711 -4.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 -1.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9847 -4.2240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6685 -2.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3116 -5.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 -1.4560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7226 -4.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2012 -1.8631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4685 -0.6311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9176 -1.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2067 -2.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6685 -2.1507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8079 -0.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6341 -1.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3449 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0630 -1.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7741 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2029 -1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9206 -1.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6318 -1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3495 -1.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0607 -1.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7784 -1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4896 -1.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2072 -1.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9184 -1.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7557 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4704 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1848 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3266 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0413 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8975 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6122 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1831 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1831 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8993 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3284 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6138 -0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7575 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0429 -0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1866 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4720 -0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9011 -0.6313 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 6 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 1 0 0 0 7 3 1 1 0 0 0 4 8 1 0 0 0 0 4 9 1 1 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 6 0 0 0 10 14 1 1 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 6 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 1 0 0 0 16 21 1 1 0 0 0 18 22 1 0 0 0 0 19 23 1 1 0 0 0 22 24 1 0 0 0 0 22 25 1 6 0 0 0 24 26 1 0 0 0 0 24 27 1 1 0 0 0 8 10 1 0 0 0 0 16 19 1 0 0 0 0 20 28 1 0 0 0 0 6 29 1 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 26 30 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 42 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 48 47 1 0 0 0 0 44 48 1 0 0 0 0 50 49 1 0 0 0 0 47 50 1 0 0 0 0 49 51 1 0 0 0 0 51 25 1 0 0 0 0 51 52 2 0 0 0 0 46 53 1 0 0 0 0 55 54 1 0 0 0 0 53 55 1 0 0 0 0 57 56 1 0 0 0 0 54 57 1 0 0 0 0 59 58 1 0 0 0 0 56 59 1 0 0 0 0 58 60 1 0 0 0 0 M END > CHEBI:84757 > beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-hexadecanoylsphinganine > A β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1ʼ)-N-acylsphinganine in which the acyl group specified is hexadecanoyl. > 3 > N-(hexadecanoyl)-1-beta-lactosyl-sphinganine; lactosyl-N-palmitoylsphingosine; LacCer(d18:0/16:0) > N-[(2S,3R)-1-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadecan-2-yl]hexadecanamide > C46H89NO13 > 864.19780 > 863.63339 > 0 > CCCCCCCCCCCCCCC[C@@H](O)[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)NC(=O)CCCCCCCCCCCCCCC > InChI=1S/C46H89NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h34-37,39-46,48-50,52-56H,3-33H2,1-2H3,(H,47,51)/t34-,35+,36+,37+,39-,40-,41+,42+,43+,44+,45+,46-/m0/s1 > CBEYGTIUKNFYAE-XZBGNQMMSA-N > LMSP0501AB14 $$$$