Marvin 11241010492D 77 78 0 0 0 0 999 V2000 2.5994 -15.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3138 -14.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0284 -15.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7428 -14.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4573 -15.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1718 -14.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8861 -15.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6007 -14.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3151 -15.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0295 -14.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7440 -15.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4585 -14.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1730 -15.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8874 -14.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6018 -15.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3163 -14.7827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0308 -15.1952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7453 -14.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4607 -15.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0308 -16.1197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0643 -17.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3498 -17.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6353 -17.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 -17.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2064 -17.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4920 -17.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7775 -17.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0630 -17.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3486 -17.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6342 -17.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9196 -17.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2052 -17.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4907 -17.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7763 -17.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0617 -17.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3473 -17.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6329 -17.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 -17.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2041 -17.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4895 -17.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -17.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9395 -17.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 -17.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3684 -17.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9285 -17.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3163 -13.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2725 -15.2602 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.2725 -14.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2725 -16.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5263 -15.2602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8118 -15.6727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8118 -16.4977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5263 -16.9102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2408 -16.4977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2408 -15.6727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0975 -15.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5263 -14.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9552 -16.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9553 -15.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0974 -16.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5263 -17.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2408 -14.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9552 -12.7852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2408 -13.1977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9552 -14.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6697 -14.0227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6697 -13.1977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3842 -14.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9552 -11.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5263 -12.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3842 -12.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0986 -14.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3498 -18.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -14.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1705 -15.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0829 -17.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7973 -17.4746 0.0000 C 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 21 45 2 0 0 0 0 16 46 1 1 0 0 0 19 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 2 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 50 55 1 0 0 0 0 51 56 1 1 0 0 0 47 56 1 0 0 0 0 50 57 1 6 0 0 0 54 58 1 6 0 0 0 55 59 1 1 0 0 0 52 60 1 1 0 0 0 53 61 1 1 0 0 0 57 62 1 0 0 0 0 64 62 1 0 0 0 0 62 65 1 0 0 0 0 63 64 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 63 67 1 0 0 0 0 66 68 1 1 0 0 0 63 69 1 1 0 0 0 64 70 1 1 0 0 0 67 71 1 6 0 0 0 68 72 1 0 0 0 0 22 73 1 0 0 0 0 1 74 1 0 0 0 0 74 75 1 0 0 0 0 44 76 1 0 0 0 0 76 77 1 0 0 0 0 M END > CHEBI:60419 > Man-beta1-6-Ins-1-P-Cer(d20:0/2-OH-26:0) > A mannosylated ceramide phosphoinositol compound having a hexacosanoyl group attached to the ceramide nitrogen, with hydroxylation at C-2 of the very-long-chain fatty acid. > 3 > MIPC-B' (C26); MIPC-2' (C26); mannosylinositol phosphorylceramide B' (C26); mannosylinositol phosphorylceramide B' (20:0/26:0) > 1D-6-O-(D-mannopyranosyl)-myo-inositol 1-{(2S,3R)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)amino]icosyl hydrogen phosphate}; (2S,3R)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)amino]icosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate > C58H114NO17P > 1128.49600 > 1127.78244 > 0 > CCCCCCCCCCCCCCCCCCCCCCCCC(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)CCCCCCCCCCCCCCCCC > InChI=1S/C58H114NO17P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-46(62)57(70)59-44(45(61)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2)43-73-77(71,72)76-56-53(68)51(66)50(65)52(67)55(56)75-58-54(69)49(64)48(63)47(42-60)74-58/h44-56,58,60-69H,3-43H2,1-2H3,(H,59,70)(H,71,72)/t44-,45+,46?,47+,48+,49-,50+,51+,52-,53+,54-,55+,56+,58?/m0/s1 > IOXZTTXRRSAOCW-WWEVDHMVSA-N > 18296751; 9368039 $$$$