Mrv0541 02251511572D 58 57 0 0 0 0 999 V2000 1.3382 -5.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 -5.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0909 -5.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -5.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0526 -5.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1961 -5.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4814 -5.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9105 -5.2877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6249 -5.7002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3394 -5.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9105 -4.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6249 -6.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8054 -5.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5197 -5.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 -5.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9487 -5.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6633 -5.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3776 -5.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0921 -5.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0539 -5.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7684 -5.2877 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.4829 -5.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1973 -5.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7684 -4.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 -6.0846 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.9118 -5.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6262 -5.2877 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.6262 -4.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3408 -4.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3408 -5.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8066 -5.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4840 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7695 -6.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0551 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3407 -6.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9116 -6.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4828 -6.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7683 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0538 -6.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4840 -7.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7696 -8.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0552 -7.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3407 -8.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6262 -7.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9117 -8.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 -7.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4829 -8.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7684 -7.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0538 -8.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 -7.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0538 -9.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7684 -9.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4829 -9.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1974 -9.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9119 -9.0004 0.0000 C 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 1 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 10 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 21 24 2 0 0 0 0 21 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 19 31 1 0 0 0 0 32 33 1 0 0 0 0 34 33 1 0 0 0 0 34 35 1 0 0 0 0 36 35 1 0 0 0 0 36 37 1 0 0 0 0 38 37 1 0 0 0 0 38 39 1 0 0 0 0 40 39 1 0 0 0 0 40 41 1 0 0 0 0 42 41 1 0 0 0 0 42 12 1 0 0 0 0 32 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 42 53 2 0 0 0 0 52 54 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 M CHG 2 25 -1 27 1 M END > CHEBI:85022 > N-hexacosanoylsphinganine-1-phosphocholine > A sphingomyelin 44:0 in which the N-acyl group and sphingoid base are specified as hexacosanoyl and sphinganine respectively. > 3 > SM (d18:0/26:0) > (2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadecyl 2-(trimethylammonio)ethyl phosphate > C49H101N2O6P > 845.30980 > 844.73973 > 0 > CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC > InChI=1S/C49H101N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h47-48,52H,6-46H2,1-5H3,(H-,50,53,54,55)/t47-,48+/m0/s1 > JDLBFYGFHYCXMD-JYHRMSDVSA-N $$$$