Ketcher 11011716082D 1 1.00000 0.00000 0 34 33 0 1 0 999 V2000 12.9322 -4.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0662 -3.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2000 -4.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3340 -3.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -4.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6022 -3.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7359 -4.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3334 -5.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4676 -5.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6016 -5.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 -5.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1997 -5.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0664 -2.8290 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 13.7985 -2.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9325 -2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6646 -2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5303 -2.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3965 -2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6646 -1.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5303 -3.8293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2627 -2.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9945 -2.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8607 -2.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7265 -2.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5927 -2.3272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4589 -2.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5927 -1.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4589 -1.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1280 -2.3282 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.1271 -1.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3870 -3.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6638 -4.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7981 -3.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6631 -5.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 8 12 1 0 0 0 15 14 2 0 0 0 13 15 1 0 0 0 16 14 1 0 0 0 16 19 1 1 0 0 16 17 1 0 0 0 17 20 1 6 0 0 17 18 1 0 0 0 18 21 1 0 0 0 23 22 1 0 0 0 24 23 1 0 0 0 25 24 1 0 0 0 26 25 1 0 0 0 25 27 1 0 0 0 25 28 1 0 0 0 21 29 1 0 0 0 29 22 1 0 0 0 29 30 2 0 0 0 29 31 1 0 0 0 32 33 1 0 0 0 32 34 2 0 0 0 32 20 1 0 0 0 1 33 1 0 0 0 11 7 1 0 0 0 M CHG 2 25 1 31 -1 M END > CHEBI:136278 > N-tetradecanoylsphingadienine-1-phosphocholine > A sphingomyelin 32:2 obtained by formal condensation of the carboxy group of tetradecanoic acid with the amino group of any sphingadienine-1-phosphocholine. > 3 > sphingomyelin d18:2/14:0; SM(d18:2/14:0) > C37H73N2O6P > 672.961 > 672.52062 > 0 > C(CCCCCCCCCCC)CC(=O)N[C@H]([C@@H](/C=C/*)O)COP(OCC[N+](C)(C)C)(=O)[O-] $$$$