Mrv0541 01261515512D 49 48 0 0 0 0 999 V2000 4.5896 -2.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -1.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1606 -2.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0184 -2.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -1.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4474 -2.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -1.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1618 -1.8799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8762 -2.2924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5907 -1.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1618 -1.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 -3.1176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4461 -1.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0173 -1.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3028 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4117 -1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -2.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8405 -1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3052 -2.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0196 -1.8799 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -2.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4485 -1.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0196 -1.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8061 -2.6768 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.1630 -2.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8774 -1.8799 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.8774 -1.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -2.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -2.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4473 -3.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -3.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0183 -3.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3039 -3.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5895 -3.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -3.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1605 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4461 -3.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7317 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0172 -3.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3028 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4117 -3.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1261 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8406 -3.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2695 -3.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1617 -3.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1617 -4.3551 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 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 48 32 1 0 0 0 0 32 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 48 12 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 49 2 0 0 0 0 M CHG 2 25 -1 27 1 M END > CHEBI:84504 > N-heptadecanoylsphinganine-1-phosphocholine > A N-acylsphinganine-1-phosphocholine in which the acyl group specified is heptadecanoyl. > 3 > SM(d18:0/17:0); N-(heptadecanoyl)-sphinganine-1-phosphocholine > (2S,3R)-2-(heptadecanoylamino)-3-hydroxyoctadecyl 2-(trimethylammonio)ethyl phosphate > C40H83N2O6P > 719.07060 > 718.59888 > 0 > CCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC > InChI=1S/C40H83N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38-39,43H,6-37H2,1-5H3,(H-,41,44,45,46)/t38-,39+/m0/s1 > GKFSHMJHEJYCCJ-ZESVVUHVSA-N > LMSP03010046 $$$$