Ketcher 07011616462D 1 1.00000 0.00000 0 52 51 0 1 0 999 V2000 11.5526 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6805 -2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8085 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2760 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4039 -2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9995 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1481 -2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8715 -2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7437 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5950 -2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8715 -1.3272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7437 -3.8397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4671 -2.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9572 -2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0851 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2130 -2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3616 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3390 -2.3448 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.3390 -1.3272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3390 -3.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1904 -2.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0625 -2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9345 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7858 -2.3448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6580 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7858 -1.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6580 -1.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4896 -2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6174 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7662 -2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8941 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0851 -3.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9572 -4.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8085 -3.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6805 -4.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5526 -3.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4039 -4.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2760 -3.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1481 -4.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9995 -3.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8715 -4.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8715 -5.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2130 -4.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2130 -5.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0851 -5.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9572 -5.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8085 -5.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6805 -5.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5526 -5.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4039 -5.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2760 -5.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1436 -5.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 5 1 0 0 0 2 3 1 0 0 0 3 14 1 0 0 0 4 5 1 0 0 0 4 7 1 0 0 0 6 7 2 0 0 0 6 8 1 0 0 0 8 11 1 1 0 0 8 9 1 0 0 0 9 12 1 6 0 0 9 10 1 0 0 0 10 13 1 0 0 0 12 41 1 0 0 0 13 18 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 28 1 0 0 0 18 19 2 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 24 27 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 32 33 1 0 0 0 32 43 1 0 0 0 33 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 40 41 1 0 0 0 41 42 2 0 0 0 43 44 2 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 M CHG 2 20 -1 24 1 M END > CHEBI:90494 > N-(11Z-icosenoyl)-sphingosine-1-phosphocholine > A sphingomyelin d18:1 in which the ceramide N-acyl group is specified as (11Z)-icosenoyl. > 3 > SM(d18:1/20:1); SM d18:1/20:1; N-(11Z-icosenoyl)-sphing-4-enine-1-phosphocholine; N-(11Z-eicosenoyl)-sphingosine-1-phosphocholine; N-(11Z-eicosenoyl)-sphing-4-enine-1-phosphocholine > (2S,3R,4E)-3-hydroxy-2-{[(11Z)-icos-11-enoyl]amino}octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate > C43H85N2O6P > 757.120 > 756.61453 > 0 > C(CCCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCC/C=C\CCCCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C > InChI=1S/C43H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,34,36,41-42,46H,6-19,22-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b21-20-,36-34+/t41-,42+/m0/s1 > MDRFMTLYKHBJTF-NQYLGBTJSA-N > LMSP03010059 $$$$