Marvin 04111309292D 44 43 0 0 1 0 999 V2000 12.0163 -5.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3017 -5.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5873 -5.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4451 -5.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7307 -5.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8741 -5.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1595 -5.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 -5.2871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3029 -5.6996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0175 -5.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 -4.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3029 -6.5248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8728 -5.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1585 -5.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4439 -5.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7295 -5.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0150 -5.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3006 -5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5861 -5.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8716 -5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3029 -7.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0174 -7.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 -7.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8740 -7.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1595 -7.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4450 -7.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7305 -7.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0161 -7.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3017 -7.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5872 -7.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8728 -7.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7320 -5.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1583 -7.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4439 -7.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7295 -7.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0150 -7.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3005 -7.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5861 -7.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8716 -7.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1571 -7.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4464 -5.2871 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.1608 -5.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4464 -4.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2328 -6.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 5 4 1 0 0 0 0 1 5 1 0 0 0 0 7 6 2 0 0 0 0 4 7 1 0 0 0 0 8 6 1 0 0 0 0 8 11 1 1 0 0 0 8 9 1 0 0 0 0 9 12 1 6 0 0 0 9 10 1 0 0 0 0 3 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 19 20 1 0 0 0 0 12 21 1 0 0 0 0 21 22 2 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 10 32 1 0 0 0 0 31 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 32 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 41 44 1 0 0 0 0 M END > CHEBI:73144 > N-octadecanoylsphingosine 1-phosphate > A ceramide 1-phosphate that is the N-octadecananoyl (stearoyl) derivative of sphingosine. > 3 > N-stearoylsphingosine 1-phosphate; N-stearoylsphing-4-enine 1-phosphate; N-octadecanoylsphing-4-enine 1-phosphate; CerP(d18:1/18:0); C18 CerP > (2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl dihydrogen phosphate > C36H72NO6P > 645.93370 > 645.50973 > 0 > CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC > InChI=1S/C36H72NO6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(39)37-34(33-43-44(40,41)42)35(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38H,3-28,30,32-33H2,1-2H3,(H,37,39)(H2,40,41,42)/b31-29+/t34-,35+/m0/s1 > ZQQLMECVOXKFJK-NXCSZAMKSA-N > 15744539 > LMSP02050004 $$$$