Marvin 07131216262D 88 90 0 0 0 0 999 V2000 0.6954 -12.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4098 -11.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1242 -12.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8386 -11.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5532 -12.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2676 -11.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9821 -12.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6967 -11.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4111 -12.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1255 -11.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8400 -12.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5545 -11.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2690 -12.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9834 -11.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6978 -12.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4125 -11.9611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1269 -12.3736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8413 -11.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5567 -12.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1269 -13.2981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1604 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4460 -14.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7314 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0170 -14.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3024 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5880 -14.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8735 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1590 -14.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4446 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7302 -14.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0156 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3012 -14.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5868 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8721 -14.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1577 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4433 -14.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7289 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0143 -14.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7002 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4147 -14.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 -14.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2726 -14.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4125 -11.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3686 -12.4385 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.3686 -11.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3686 -13.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6225 -12.4385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9080 -12.8512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9080 -13.6762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6225 -14.0887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3370 -13.6762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3370 -12.8512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1936 -12.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6225 -11.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0514 -14.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0515 -12.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1936 -14.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6225 -14.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3370 -11.2011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0514 -9.9636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3370 -10.3760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0514 -11.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7659 -11.2011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7659 -10.3760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4804 -11.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0514 -9.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6225 -9.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4804 -9.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1948 -11.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8748 -14.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0503 -11.1926 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.0503 -10.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0503 -11.9978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8554 -11.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9989 -11.6051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9989 -12.4301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2844 -11.1926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.2844 -12.8427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5699 -11.6051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5699 -12.4301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.2843 -10.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8554 -12.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2843 -13.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7134 -12.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7134 -11.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4461 -15.4783 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 21 72 2 0 0 0 0 71 73 1 0 0 0 0 73 74 1 0 0 0 0 73 75 2 0 0 0 0 73 76 1 0 0 0 0 78 77 1 0 0 0 0 79 77 1 0 0 0 0 80 78 1 0 0 0 0 81 79 1 0 0 0 0 82 80 1 0 0 0 0 82 81 1 0 0 0 0 79 83 1 6 0 0 0 81 76 1 1 0 0 0 82 84 1 1 0 0 0 80 85 1 1 0 0 0 78 86 1 6 0 0 0 77 87 1 1 0 0 0 22 88 1 0 0 0 0 M END > CHEBI:60441 > Ins-1-P-6-Man-beta1-6-Ins-1-P-Cer(d18:0/2-OH-24:0) > A mannosylinositol phosphorylceramide compound having an inositol 1-phosphoryl group attached to the mannose residue and a tetracosanoyl group attached to the ceramide nitrogen, with no hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid. > 3 > M(IP)2C-B' (C24); M(IP)2C-2' (C24); inositol phosphomannosylinositol phosphoceramide B' (C24); inositol phosphomannosylinositol phosphoceramide B' (18:0/24:0) > 1D-6-O-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-beta-D-mannopyranosyl]}-myo-inositol 1-[(2S,3R)-3-hydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl hydrogen phosphate]; (2S,3R)-3-hydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl (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)-beta-D-mannopyranosyl]oxy}cyclohexyl hydrogen phosphate > C60H117NO25P2 > 1314.51020 > 1313.73899 > 0 > CCCCCCCCCCCCCCCCCCCCCCC(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]1O[C@@H]1O[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)CCCCCCCCCCCCCCC > InChI=1S/C60H117NO25P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(63)59(76)61-40(41(62)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)38-81-87(77,78)86-58-54(74)50(70)49(69)53(73)57(58)84-60-55(75)45(65)44(64)43(83-60)39-82-88(79,80)85-56-51(71)47(67)46(66)48(68)52(56)72/h40-58,60,62-75H,3-39H2,1-2H3,(H,61,76)(H,77,78)(H,79,80)/t40-,41+,42?,43+,44+,45-,46-,47-,48+,49+,50+,51+,52+,53-,54+,55-,56-,57+,58+,60-/m0/s1 > YIOXLZJXYRDBIN-CZJBKYDDSA-N > 12923229; 18296751 $$$$