Marvin 07291316402D 74 75 0 0 1 0 999 V2000 5.9646 -3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -2.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5357 -3.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8212 -2.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1065 -3.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1065 -3.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 -4.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5356 -3.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -4.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9645 -3.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 -4.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3936 -3.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1080 -4.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8224 -3.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5369 -4.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2516 -3.8472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9660 -4.2598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6804 -3.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3959 -4.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9660 -5.1845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5370 -5.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8224 -5.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1080 -5.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3933 -5.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 -5.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9643 -5.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2499 -5.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 -5.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8211 -5.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1063 -5.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3919 -5.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6775 -5.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3926 -6.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 -6.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8217 -6.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5361 -6.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2507 -6.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9651 -6.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2516 -3.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2077 -4.3246 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.2077 -3.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2077 -5.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4617 -4.3246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7473 -4.7375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7473 -5.5625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4617 -5.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1764 -5.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1764 -4.7375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0329 -4.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4617 -3.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8908 -5.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8908 -4.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0329 -5.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4617 -6.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2511 -6.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2515 -5.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6798 -6.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3941 -6.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1764 -3.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8908 -1.8496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1764 -2.2621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8908 -3.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6053 -3.0872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6053 -2.2621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3200 -3.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8908 -1.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4617 -1.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3200 -1.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0344 -3.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9645 -6.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2505 -6.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9635 -5.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2501 -5.5979 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 57 21 1 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 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 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 16 40 1 1 0 0 0 19 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 44 45 1 0 0 0 0 45 46 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 44 49 1 0 0 0 0 45 50 1 1 0 0 0 41 50 1 0 0 0 0 44 51 1 6 0 0 0 48 52 1 6 0 0 0 49 53 1 1 0 0 0 46 54 1 1 0 0 0 47 55 1 1 0 0 0 57 56 2 0 0 0 0 20 57 1 0 0 0 0 39 58 1 0 0 0 0 58 59 1 0 0 0 0 51 60 1 0 0 0 0 62 60 1 0 0 0 0 60 63 1 0 0 0 0 61 62 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 61 65 1 0 0 0 0 64 66 1 1 0 0 0 61 67 1 1 0 0 0 62 68 1 1 0 0 0 65 69 1 6 0 0 0 66 70 1 0 0 0 0 71 33 1 0 0 0 0 72 71 1 0 0 0 0 73 32 1 0 0 0 0 74 72 1 0 0 0 0 74 73 1 0 0 0 0 M END > CHEBI:62706 > Man-1-6-Ins-1-P-Cer(d18:0/26:0) > A mannosylinositol phosphorylceramide compound having a hexacosanoyl group amide-linked to a C18 sphinganine base, with no hydroxylation at C-4 of the long-chain base or on the C26 very-long-chain fatty acid. > 3 > MIPC-A; MIPC-1; mannose-inositol-P-ceramide-A > 1D-6-O-(D-mannopyranosyl)-myo-inositol 1-[(2S,3S)-2-(hexacosanoylamino)-3-hydroxyoctadecanyl hydrogen phosphate]; (2S,3S)-2-(hexacosanoylamino)-3-hydroxyoctadecanyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate > C56H110NO16P > 1084.44350 > 1083.75622 > 0 > CCCCCCCCCCCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCC > InChI=1S/C56H110NO16P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(60)57-43(44(59)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)42-70-74(68,69)73-55-52(66)50(64)49(63)51(65)54(55)72-56-53(67)48(62)47(61)45(41-58)71-56/h43-45,47-56,58-59,61-67H,3-42H2,1-2H3,(H,57,60)(H,68,69)/t43-,44+,45+,47+,48-,49+,50+,51-,52+,53-,54+,55+,56?/m0/s1 > ULGWLVJPHSVAOJ-MIMKHQOHSA-N $$$$