Marvin 07121215432D 73 74 0 0 0 0 999 V2000 0.3129 -12.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0273 -11.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -12.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 -11.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 -12.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8851 -11.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 -12.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3141 -11.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0285 -12.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7429 -11.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4574 -12.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1719 -11.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8864 -12.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6008 -11.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3152 -12.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0297 -11.6122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7441 -12.0247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4586 -11.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1740 -12.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7441 -12.9492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7776 -13.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0633 -14.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3487 -13.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6343 -14.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9198 -13.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2054 -14.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4909 -13.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7764 -14.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 -13.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3476 -14.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 -13.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9186 -14.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -13.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 -14.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7752 -13.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0608 -14.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3464 -13.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3682 -14.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0826 -13.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7971 -14.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5116 -13.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2261 -14.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9404 -13.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -14.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0297 -10.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9858 -12.0897 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.9858 -11.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9858 -12.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2397 -12.0897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5252 -12.5022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5252 -13.3272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2397 -13.7398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9542 -13.3272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9542 -12.5022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8108 -12.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2397 -11.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6686 -13.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6687 -12.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8108 -13.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2397 -14.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9542 -10.8522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6686 -9.6147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9542 -10.0272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6686 -11.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3831 -10.8522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3831 -10.0272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0976 -11.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6686 -8.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2397 -9.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0976 -9.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8120 -10.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3152 -12.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4921 -14.3042 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 3 4 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 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 17 20 1 6 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 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 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 42 43 1 0 0 0 0 43 44 1 0 0 0 0 20 21 1 0 0 0 0 16 45 1 1 0 0 0 19 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 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 49 54 1 0 0 0 0 50 55 1 1 0 0 0 46 55 1 0 0 0 0 49 56 1 6 0 0 0 53 57 1 6 0 0 0 54 58 1 1 0 0 0 51 59 1 1 0 0 0 52 60 1 1 0 0 0 61 56 1 1 0 0 0 63 61 1 0 0 0 0 61 64 1 0 0 0 0 62 63 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 62 66 1 0 0 0 0 65 67 1 1 0 0 0 62 68 1 1 0 0 0 63 69 1 1 0 0 0 66 70 1 6 0 0 0 67 71 1 0 0 0 0 15 72 1 0 0 0 0 21 73 2 0 0 0 0 M END > CHEBI:60420 > Man-beta1-6-Ins-1-P-Cer(t18:0/24:0) > A mannosylated ceramide phosphoinositol compound having a tetracosanoyl group attached to the ceramide nitrogen, with hydroxylation at C-4 of the long-chain base. > 3 > MIPC-B (C24); MIPC-2 (C24); mannosylinositol phosphorylceramide B (C24); mannosylinositol phosphorylceramide B (18:0/24:0) > 1D-6-O-(beta-D-mannopyranosyl)-myo-inositol 1-[(2S,3R)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl hydrogen phosphate]; (2S,3S)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(beta-D-mannopyranosyloxy)cyclohexyl hydrogen phosphate > C54H106NO17P > 1072.38970 > 1071.71984 > 0 > CCCCCCCCCCCCCCCCCCCCCCCC(=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]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCC > InChI=1S/C54H106NO17P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-43(58)55-40(44(59)41(57)36-34-32-30-28-26-16-14-12-10-8-6-4-2)39-69-73(67,68)72-53-50(65)48(63)47(62)49(64)52(53)71-54-51(66)46(61)45(60)42(38-56)70-54/h40-42,44-54,56-57,59-66H,3-39H2,1-2H3,(H,55,58)(H,67,68)/t40-,41?,42+,44-,45+,46-,47+,48+,49-,50+,51-,52+,53+,54-/m0/s1 > XALIYEYAGRETKK-YUUNQRIMSA-N > 18296751; 9368039 $$$$