Marvin 10081016262D 61 61 0 0 1 0 999 V2000 7.8310 -10.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8310 -11.2870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1165 -11.6995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4021 -11.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1165 -12.5245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4021 -12.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5455 -12.5245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2600 -12.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5455 -11.6995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8310 -12.9370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2600 -11.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8310 -13.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 -10.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8311 -9.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1166 -10.0496 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.6863 -6.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0281 -6.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 -7.9872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6876 -7.5747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4021 -8.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 -7.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1166 -9.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 -7.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5442 -7.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8297 -7.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1153 -7.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 -7.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6863 -7.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0281 -7.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 -6.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5442 -6.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8297 -6.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1153 -6.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 -6.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6876 -6.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1165 -7.5746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8310 -7.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8310 -8.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5455 -7.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2599 -7.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9744 -7.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6889 -7.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4033 -7.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1178 -7.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8323 -7.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5468 -7.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2612 -7.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9757 -7.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6902 -7.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4046 -7.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1191 -7.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8336 -7.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5481 -7.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5468 -6.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2612 -6.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9757 -6.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6902 -6.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4046 -6.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1191 -6.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8336 -6.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5481 -6.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 5 1 0 0 0 0 3 4 1 1 0 0 0 5 10 1 0 0 0 0 5 6 1 1 0 0 0 10 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 1 0 0 0 9 11 1 6 0 0 0 10 12 1 6 0 0 0 22 15 1 0 0 0 0 15 13 2 0 0 0 0 15 14 1 0 0 0 0 15 1 1 0 0 0 0 16 17 1 0 0 0 0 18 36 1 1 0 0 0 18 19 1 0 0 0 0 19 35 1 1 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 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 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 34 16 1 0 0 0 0 33 34 1 0 0 0 0 36 37 1 0 0 0 0 37 39 1 0 0 0 0 37 38 2 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 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 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 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 53 61 1 0 0 0 0 29 17 1 0 0 0 0 M END > CHEBI:60402 > Ins-1-P-Cer(d18:0/24:0) > A ceramide phosphoinositol compound having a tetracosanoyl group attached to the ceramide nitrogen. > 3 > IPC-A (C24); IPC-1 (C24); inositol-P-ceramide-A (C24); inositol-P-ceramide-A (18:0/24:0) > (2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadecyl 1D-myo-inositol hydrogen phosphate; (2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate > C48H96NO11P > 894.24970 > 893.67210 > 0 > CCCCCCCCCCCCCCCCCCCCCCCC(=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](O)CCCCCCCCCCCCCCC > InChI=1S/C48H96NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(51)49-40(41(50)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)39-59-61(57,58)60-48-46(55)44(53)43(52)45(54)47(48)56/h40-41,43-48,50,52-56H,3-39H2,1-2H3,(H,49,51)(H,57,58)/t40-,41+,43-,44-,45+,46+,47+,48-/m0/s1 > SJUUDDANVVUTJD-LOTZUYGHSA-N > 9368039 $$$$