Ketcher 01261813522D 1 1.00000 0.00000 0 65 67 0 1 0 999 V2000 13.0644 -6.1206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4709 -4.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3354 -5.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2001 -4.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0644 -5.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9289 -4.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7945 -5.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2001 -3.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7767 -5.0802 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.7767 -4.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7767 -6.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5040 -5.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6395 -5.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6395 -6.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5040 -7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3686 -6.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3686 -5.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7752 -5.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5040 -4.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2330 -7.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2330 -5.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7752 -7.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5040 -8.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3686 -3.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2330 -2.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3686 -2.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2330 -4.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0974 -3.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0974 -2.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9622 -4.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2330 -1.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5040 -2.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9622 -2.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8266 -3.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8616 -3.5726 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.8616 -2.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8616 -4.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8357 -3.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4294 -4.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4294 -5.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5648 -3.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5648 -5.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7004 -4.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7004 -5.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5648 -2.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8357 -5.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5648 -6.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2937 -5.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2937 -3.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9289 -7.6179 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 14.7937 -6.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9290 -6.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1482 -3.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2841 -3.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6064 -5.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7418 -4.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8774 -5.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0129 -4.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1482 -5.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2841 -4.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4709 -3.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6064 -3.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7418 -3.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8774 -3.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0129 -3.5044 0.0000 C 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 53 54 1 0 0 0 2 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 65 53 1 0 0 0 64 65 1 0 0 0 60 54 1 0 0 0 M CHG 2 10 -1 36 -1 M END > CHEBI:139092 > inositol phosphomannosylinositol-1-phospho-N-acylsphinganine(2-) > An inositol phosphomannosylinositol-1-phosphodihydroceramide(2−) obtained by deprotonation of the free phosphate OH group of inositol phosphomannosylinositol-1-phospho-N-acylsphinganine; major species at pH 7.3. > 3 > Ins-1-6-Man-1-6-Ins-1-P-Cer(d18:0)(2-); inositol phosphomannosylinositol-1-phospho-N-acyldihydrosphingosine(2-); an inositol phosphomannosylinositol-1-phospho-N-acylsphinganine > C37H68NO24P2R > 972.877 > 972.36065 > -2 > N([C@H]([C@@H](CCCCCCCCCCCCCCC)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)* $$$$