Marvin 08101116252D 92 94 0 0 1 0 999 V2000 12.8569 -4.4772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8556 -2.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1410 -1.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4268 -2.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4266 -3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1410 -3.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8554 -3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 -3.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2847 -3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9991 -3.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7135 -3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4279 -3.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1425 -3.1400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8569 -3.5525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5713 -3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2867 -3.6241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1425 -2.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0984 -3.6174 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.0984 -2.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0984 -4.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3524 -3.6174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6380 -4.0302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6380 -4.8552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3524 -5.2677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0671 -4.8552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0671 -4.0302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9236 -3.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3524 -2.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7815 -5.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7815 -3.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9236 -5.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3524 -6.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5700 -1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2847 -2.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0671 -2.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7815 -1.1424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0671 -1.5549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7815 -2.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4958 -2.3799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4958 -1.5549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2105 -2.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7815 -0.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3524 -1.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2105 -1.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9249 -2.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7804 -2.3714 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.7804 -1.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7804 -3.1767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5855 -2.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7290 -2.7840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7290 -3.6090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0144 -2.3714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.0144 -4.0217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3000 -2.7840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3000 -3.6090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.0144 -1.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5855 -4.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0144 -4.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4434 -4.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4434 -2.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5713 -5.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8330 -6.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1423 -5.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4277 -6.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7133 -5.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9988 -6.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2844 -5.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5700 -6.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8554 -5.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1409 -6.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4265 -5.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7121 -6.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -6.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4271 -7.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1415 -6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8561 -7.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5705 -6.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2850 -7.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9994 -6.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2860 -4.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5714 -4.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4277 -4.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2829 -6.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9991 -7.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2852 -6.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9983 -5.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2849 -6.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8211 -6.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7142 -7.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4284 -6.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9990 -1.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7136 -2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 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 15 16 1 0 0 0 0 14 1 1 6 0 0 0 13 17 1 1 0 0 0 16 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 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 46 49 1 0 0 0 0 51 50 1 0 0 0 0 52 50 1 0 0 0 0 53 51 1 0 0 0 0 54 52 1 0 0 0 0 55 53 1 0 0 0 0 55 54 1 0 0 0 0 52 56 1 6 0 0 0 54 49 1 1 0 0 0 55 57 1 1 0 0 0 53 58 1 1 0 0 0 51 59 1 6 0 0 0 50 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 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 70 71 1 0 0 0 0 71 72 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 81 80 2 0 0 0 0 1 81 1 0 0 0 0 81 61 1 0 0 0 0 12 82 1 0 0 0 0 61 83 1 0 0 0 0 84 73 1 0 0 0 0 85 84 1 0 0 0 0 86 72 1 0 0 0 0 87 85 1 0 0 0 0 87 86 1 0 0 0 0 62 88 1 0 0 0 0 79 89 1 0 0 0 0 89 90 1 0 0 0 0 4 5 1 0 0 0 0 34 91 1 0 0 0 0 91 92 1 0 0 0 0 M END > CHEBI:62684 > Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0) > An inositol phosphomannosylinositol phosphoceramide compound having an inositol 1-phosphoryl group attached to the mannose residue (at the 6-position) and 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 > M(IP)2C-D (C26); inositol phosphomannosylinositol phosphoceramide D (18:0/26:0) > 1D-6-O-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-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-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-D-mannopyranosyl]oxy}cyclohexyl hydrogen phosphate > C62H121NO27P2 > 1374.56220 > 1373.76012 > 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](COP(O)(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCC > InChI=1S/C62H121NO27P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(65)45(67)61(80)63-40(44(66)41(64)36-34-32-30-28-26-16-14-12-10-8-6-4-2)38-85-91(81,82)90-60-56(78)52(74)51(73)55(77)59(60)88-62-57(79)47(69)46(68)43(87-62)39-86-92(83,84)89-58-53(75)49(71)48(70)50(72)54(58)76/h40-60,62,64-79H,3-39H2,1-2H3,(H,63,80)(H,81,82)(H,83,84)/t40-,41?,42?,43+,44-,45?,46+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57-,58-,59+,60+,62?/m0/s1 > SQXZQHDWAOQNOP-JPXZCIKDSA-N $$$$