Mrv0541 02251510312D 55 54 0 0 0 0 999 V2000 5.6279 -5.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 -5.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1988 -5.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0568 -5.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3423 -5.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4858 -5.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7711 -5.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2002 -5.4463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9147 -5.8589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6292 -5.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2002 -4.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9147 -6.6841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 -5.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7699 -5.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0554 -5.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3408 -5.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6264 -5.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -5.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8025 -5.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3437 -5.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0581 -5.4463 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.7727 -5.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4871 -5.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0581 -4.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8446 -6.2433 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.2017 -5.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9160 -5.4463 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.9160 -4.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6306 -5.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6306 -5.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5171 -5.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4857 -6.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7711 -7.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0567 -6.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3422 -7.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6278 -6.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 -7.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1987 -6.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 -7.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7698 -6.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0553 -7.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3408 -6.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6264 -7.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0881 -6.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8026 -7.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5171 -6.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2316 -7.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2001 -7.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2001 -7.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2316 -7.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5171 -8.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8025 -7.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0881 -8.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6264 -7.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3409 -8.3342 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 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 47 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 2 25 -1 27 1 M END > CHEBI:85017 > N-tricosanoylsphinganine-1-phosphocholine > A N-acylsphinganine-1-phosphocholine in which the acyl group specified is tricosanoyl. > 3 > SM (d18:0/23:0) > (2S,3R)-3-hydroxy-2-(tricosanoylamino)octadecyl 2-(trimethylammonio)ethyl phosphate > C46H95N2O6P > 803.23010 > 802.69278 > 0 > CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC > InChI=1S/C46H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h44-45,49H,6-43H2,1-5H3,(H-,47,50,51,52)/t44-,45+/m0/s1 > CRPAVAKPGRALOU-YWPUXERESA-N $$$$