Marvin 07041310452D 58 57 0 0 1 0 999 V2000 18.4570 -3.2090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7464 -2.7999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0356 -3.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8678 -3.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0461 -3.9196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1677 -2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8786 -3.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3018 -4.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3018 -5.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5912 -3.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1333 -2.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3504 -2.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8755 -4.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1591 -3.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4428 -4.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7265 -3.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0102 -4.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2939 -3.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5778 -4.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8615 -3.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1452 -4.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4289 -3.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7126 -4.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9963 -3.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 -4.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5638 -4.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8475 -3.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1312 -4.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4149 -3.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 -4.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9822 -3.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -4.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5497 -3.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8334 -4.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3191 -2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6029 -3.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8866 -2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1703 -3.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4540 -2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7377 -3.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0214 -2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3051 -3.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5888 -2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8725 -3.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1561 -2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4398 -3.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7236 -2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0073 -3.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3073 -3.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0219 -2.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7362 -3.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4508 -2.7950 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 24.1653 -3.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4508 -1.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1653 -2.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5925 -2.7958 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.5917 -1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8061 -3.5926 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 5 1 0 0 0 0 2 11 1 1 0 0 0 2 12 1 6 0 0 0 10 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 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 3 35 2 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 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 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 7 56 1 0 0 0 0 56 49 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 M CHG 2 52 1 58 -1 M END > CHEBI:74535 > N-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine > A sphingomyelin d18:1 in which the N-acyl group is specified as (15Z)-tetracosenoyl. > 3 > SM(d18:1/24:1(15Z)); N-(15Z-tetracosenoyl)sphing-4-enine-1-phosphocholine; N-(15Z-tetracosenoyl)-sphing-4-enine-1-phosphocholine; C24:1 Sphingomyelin > (2S,3R,4E)-3-hydroxy-2-[(15Z)-tetracos-15-enoylamino]octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate > C47H93N2O6P > 813.22490 > 812.67713 > 0 > [H][C@@](O)(\C=C\CCCCCCCCCCCCC)[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC > InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b21-20-,40-38+/t45-,46+/m0/s1 > WKZHECFHXLTOLJ-QYKFWSDSSA-N > LMSP03010007 > 24362891 $$$$