Marvin 04111310402D 42 41 0 0 1 0 999 V2000 12.4688 -6.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7542 -6.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0398 -6.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8977 -6.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1832 -6.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3267 -6.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6121 -6.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0410 -6.4611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7554 -6.8736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4700 -6.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0410 -5.6364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7554 -7.6988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3253 -6.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6110 -6.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8965 -6.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1820 -6.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4675 -6.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7531 -6.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0386 -6.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3242 -6.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7554 -8.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4699 -8.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0409 -8.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3265 -8.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6121 -8.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8976 -8.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1831 -8.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4687 -8.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7542 -8.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0397 -8.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3253 -8.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1845 -6.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6108 -8.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8965 -8.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1820 -8.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4675 -8.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7530 -8.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0386 -8.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8989 -6.4611 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.6133 -6.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8989 -5.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6854 -7.2580 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 2 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 19 20 1 0 0 0 0 12 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 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 10 32 1 0 0 0 0 31 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 32 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 39 42 1 0 0 0 0 M END > CHEBI:73145 > N-hexadecanoylsphingosine 1-phosphate > A ceramide 1-phosphate that is the N-hexadecanoyl (palmitoyl) derivative of sphingosine. > 3 > N-palmitoylsphingosine 1-phosphate; N-palmitoylsphing-4-enine-1-phosphate; N-hexadecanoylsphing-4-enine-1-phosphate; CerP(d18:1/16:0) > (2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate > C34H68NO6P > 617.88060 > 617.47843 > 0 > CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC > InChI=1S/C34H68NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36H,3-26,28,30-31H2,1-2H3,(H,35,37)(H2,38,39,40)/b29-27+/t32-,33+/m0/s1 > UNRULDRRONAKLU-TURZORIXSA-N > 7319920 > LMSP02050002 $$$$