Ketcher 01261810302D 1 1.00000 0.00000 0 53 55 0 1 0 999 V2000 6.3930 -10.6423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8004 -9.0249 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 4.6646 -9.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5289 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 -9.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2571 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 -9.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5289 -8.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1041 -9.6023 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.1041 -8.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1041 -10.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8304 -9.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9663 -10.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9663 -11.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8304 -11.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6947 -11.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6947 -10.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1022 -9.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8304 -8.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5588 -11.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5588 -9.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1022 -11.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8304 -12.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6947 -8.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5588 -6.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6947 -7.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5588 -8.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4228 -8.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4228 -7.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2873 -8.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5588 -5.6109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8304 -6.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2873 -6.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1514 -8.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1860 -8.0953 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.1860 -7.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1860 -9.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1598 -8.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7524 -8.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7524 -9.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8882 -8.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8882 -10.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0241 -8.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0241 -9.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8882 -7.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1598 -10.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8882 -11.0892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6164 -10.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6164 -8.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2571 -12.1390 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 8.1215 -10.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2572 -11.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6644 -10.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 5 1 1 6 0 0 4 8 1 1 0 0 7 9 1 0 0 0 9 10 1 0 0 0 9 11 2 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 12 17 1 0 0 0 13 18 1 1 0 0 9 18 1 0 0 0 12 19 1 6 0 0 16 20 1 6 0 0 17 21 1 1 0 0 14 22 1 1 0 0 15 23 1 1 0 0 19 24 1 0 0 0 26 24 1 0 0 0 24 27 1 0 0 0 25 26 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 25 29 1 0 0 0 28 30 1 1 0 0 25 31 1 1 0 0 26 32 1 1 0 0 29 33 1 6 0 0 30 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 35 37 2 0 0 0 35 38 1 0 0 0 40 39 1 0 0 0 41 39 1 0 0 0 42 40 1 0 0 0 43 41 1 0 0 0 44 42 1 0 0 0 44 43 1 0 0 0 41 45 1 6 0 0 43 38 1 1 0 0 44 46 1 1 0 0 42 47 1 1 0 0 40 48 1 6 0 0 39 49 1 1 0 0 52 51 2 0 0 0 1 52 1 0 0 0 52 50 1 0 0 0 3 53 1 6 0 0 M CHG 2 10 -1 36 -1 M RGP 2 2 1 50 2 M END > CHEBI:139068 > inositol phosphomannosylinositol-1-phosphophytoceramide(2-) > An inositol phosphomannosylinositol phosphophytoceramide(2−) obtained by deprotonation of the free phosphate OH groups of any inositol phosphomannosylinositol-1-phosphophytoceramide; major species at pH 7.3. > 3 > Ins-1-P-6-Man-1-6-Ins-1-P-PHCer(2-); inositol phosphomannosylinositol-1-phospho-N-acylphytosphingoid(2-); inositol phosphomannosylinositol-1-phospho-N-acyl-4R-hydroxysphingoid(2-); an inositol phosphomannosylinositol-1-phosphophytoceramide > C23H39NO25P2R2 > 791.496 > 791.12864 > -2 > N([C@H]([C@@H]([C@@H](*)O)O)COP([O-])(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)OC2[C@H]([C@H]([C@@H]([C@H](O2)COP([O-])(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H]([C@H]3O)O)O)O)O)O)O)O)C(=O)* $$$$