Marvin 08101116592D 77 78 0 0 1 0 999 V2000 5.9527 -2.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2381 -2.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5238 -2.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5238 -3.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2381 -3.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9525 -3.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6669 -3.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3817 -3.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0961 -3.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8105 -3.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5249 -3.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2396 -3.2872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9540 -3.6997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6684 -3.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3838 -3.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9540 -4.6244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2396 -2.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1954 -3.7646 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.1954 -2.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1954 -4.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4495 -3.7646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7351 -4.1774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7351 -5.0024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4495 -5.4148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1640 -5.0024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1640 -4.1774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0207 -3.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4495 -2.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8784 -5.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8784 -3.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0207 -5.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4495 -6.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6671 -2.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3817 -2.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1640 -2.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8784 -1.2896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1640 -1.7021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8784 -2.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5928 -2.5271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5928 -1.7021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3075 -2.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8784 -0.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4495 -1.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3075 -1.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0219 -2.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6684 -5.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9300 -6.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2394 -5.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5249 -6.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8105 -5.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 -6.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3814 -5.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 -6.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9525 -5.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 -6.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5236 -5.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8092 -6.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8097 -7.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5242 -7.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2386 -7.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9532 -7.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6676 -7.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3822 -7.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0965 -7.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3831 -4.6247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6686 -5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8113 -7.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5255 -7.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5247 -4.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0961 -2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8107 -2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 -7.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3824 -7.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0953 -5.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3818 -6.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3799 -6.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9181 -7.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 6 0 0 0 12 17 1 1 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 1 0 0 0 18 27 1 0 0 0 0 21 28 1 6 0 0 0 25 29 1 6 0 0 0 26 30 1 1 0 0 0 23 31 1 1 0 0 0 24 32 1 1 0 0 0 1 33 1 0 0 0 0 33 34 1 0 0 0 0 28 35 1 0 0 0 0 37 35 1 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 36 40 1 0 0 0 0 39 41 1 1 0 0 0 36 42 1 1 0 0 0 37 43 1 1 0 0 0 40 44 1 6 0 0 0 41 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 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 66 65 2 0 0 0 0 16 66 1 0 0 0 0 64 67 1 0 0 0 0 67 68 1 0 0 0 0 66 46 1 0 0 0 0 11 69 1 0 0 0 0 3 4 1 0 0 0 0 34 70 1 0 0 0 0 70 71 1 0 0 0 0 72 58 1 0 0 0 0 73 72 1 0 0 0 0 74 57 1 0 0 0 0 75 73 1 0 0 0 0 75 74 1 0 0 0 0 46 76 1 0 0 0 0 47 77 1 0 0 0 0 M END > CHEBI:62683 > Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0) > A mannosylinositol phosphorylceramide compound having a hexacosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the C18 sphingoid base, and hydroxylation at C-2 and C-3 of the C26 very-long-chain fatty acid. > 3 > MIPC-D (t18:0/2,3-OH-26:0); mannosylinositol phosphorylceramide D > 1D-6-O-(D-mannopyranosyl)-myo-inositol 1-[(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl hydrogen phosphate]; (2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate > C56H110NO19P > 1132.44170 > 1131.74097 > 0 > CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(=O)N[C@@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCC > InChI=1S/C56H110NO19P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(60)45(62)55(70)57-40(44(61)41(59)36-34-32-30-28-26-16-14-12-10-8-6-4-2)39-73-77(71,72)76-54-51(68)49(66)48(65)50(67)53(54)75-56-52(69)47(64)46(63)43(38-58)74-56/h40-54,56,58-69H,3-39H2,1-2H3,(H,57,70)(H,71,72)/t40-,41?,42?,43+,44-,45?,46+,47-,48+,49+,50-,51+,52-,53+,54+,56?/m0/s1 > CDDZETQXNQBXOI-TVABIWGSSA-N $$$$