Marvin 06151214082D 27 26 0 0 1 0 999 V2000 4.2380 -4.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -6.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5233 -4.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5233 -6.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 -4.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 -6.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 -4.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 -6.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 -4.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 -6.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0961 -4.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0961 -6.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3814 -4.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3814 -6.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8105 -6.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8105 -4.4031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5250 -4.8156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2395 -4.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8105 -3.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5249 -5.6409 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.9540 -4.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6743 -4.4029 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.3899 -4.8203 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6743 -3.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8830 -5.1980 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5250 -6.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2394 -6.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 12 15 1 0 0 0 0 16 11 1 0 0 0 0 16 19 1 1 0 0 0 16 17 1 0 0 0 0 17 20 1 6 0 0 0 17 18 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 3 20 1 23 -1 25 -1 M END > CHEBI:64886 > C20 sphinganine 1-phosphate(1-) > The organophosphate oxoanion resulting from the addition of a proton to the amino group and the removal of the two acidic protons from the phosphate group of C20 sphinganine 1-phosphate. > 3 > C20 sphinganine 1-phosphate(1-); C(20) sphinganine 1-phosphate; (2S,3R)-2-azaniumyl-3-hydroxyeicosyl phosphate; (2S,3R)-2-ammonio-3-hydroxyeicosyl phosphate > (2S,3R)-2-azaniumyl-3-hydroxyicosyl phosphate; (2S,3R)-2-ammonio-3-hydroxyicosyl phosphate > C20H43NO5P > 408.53290 > 408.28843 > -1 > CCCCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O > InChI=1S/C20H44NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)19(21)18-26-27(23,24)25/h19-20,22H,2-18,21H2,1H3,(H2,23,24,25)/p-1/t19-,20+/m0/s1 > WEYZCBKZGOIPIU-VQTJNVASSA-M $$$$