Ketcher 04061612002D 1 1.00000 0.00000 0 50 49 0 1 0 999 V2000 12.9027 -4.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0411 -4.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1793 -4.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9027 -5.6157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7651 -4.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6270 -4.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3103 -4.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4414 -4.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5728 -4.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -4.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8357 -4.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9669 -4.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0983 -4.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3597 -4.6134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2263 -4.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0927 -4.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9593 -4.1131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4925 -4.1141 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.4916 -3.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7516 -5.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0411 -3.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 -3.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9647 -2.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8312 -3.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6976 -2.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6976 -1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 -1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 -0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8257 -4.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9593 -3.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8257 -3.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0362 -6.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1699 -5.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0362 -7.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1698 -7.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1698 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3034 -9.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3034 -10.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4369 -10.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4369 -11.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3032 -12.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1698 -11.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1699 -10.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0364 -10.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0366 -9.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9033 -8.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5704 -12.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5706 -13.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3032 -13.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4368 -13.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 3 7 2 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 6 18 1 0 0 0 18 14 1 0 0 0 18 19 2 0 0 0 18 20 1 0 0 0 2 21 1 1 0 0 1 4 1 6 0 0 13 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 17 29 1 0 0 0 17 30 1 0 0 0 17 31 1 0 0 0 33 32 2 0 0 0 32 4 1 0 0 0 32 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 47 40 1 0 0 0 48 47 2 0 0 0 49 41 1 0 0 0 50 48 1 0 0 0 50 49 1 0 0 0 M CHG 2 17 1 20 -1 M END > CHEBI:105799 > N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine > A sphingomyelin 36:3 in which the fatty acyl and sphingoid portions are specified as oleoyl and (4E,14Z)-sphingadienine respectively. > 3 > sphingomyelin d18:2/18:1; SM(d18:2/18:1); N-(9Z-octadecenoyl)-4E,14Z-sphingadienine-1-phosphocholine > (2S,3R,4E,14Z)-3-hydroxy-2-{[(9Z)-octadec-9-enoyl]amino}octadeca-4,14-dien-1-yl 2-(trimethylazaniumyl)ethyl phosphate > C41H79N2O6P > 727.051 > 726.56758 > 0 > [C@@H]([C@@H](/C=C/CCCCCCCC/C=C\CCC)O)(COP(OCC[N+](C)(C)C)(=O)[O-])NC(=O)CCCCCCC/C=C\CCCCCCCC > InChI=1S/C41H79N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h11,13,20-21,32,34,39-40,44H,6-10,12,14-19,22-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b13-11-,21-20-,34-32+/t39-,40+/m0/s1 > YMTVMVYOUDDTQJ-UOMMIRHQSA-N > LMSP03010047 > 25502724 $$$$