Marvin 08311013072D 21 20 0 0 1 0 999 V2000 19.2428 -33.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0827 -32.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9441 -33.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7859 -32.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9563 -34.6979 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.6400 -33.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7738 -31.3928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4892 -32.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3434 -33.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1926 -32.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0468 -33.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8961 -32.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7501 -33.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5921 -32.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1837 -31.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3254 -30.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4761 -31.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0274 -30.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8858 -31.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5781 -31.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7287 -30.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 1 0 0 0 6 8 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 11 12 1 0 0 0 0 10 11 1 0 0 0 0 9 10 1 0 0 0 0 16 15 1 0 0 0 0 8 9 1 0 0 0 0 17 16 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 14 20 1 0 0 0 0 19 21 1 0 0 0 0 21 20 1 0 0 0 0 M CHG 1 5 1 M END > CHEBI:57756 > sphingosine(1+) > The cationic sphingoid resulting from the protonation of the amino group of sphingosine. > 3 > sphing-4-enine > (2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-aminium > C18H38NO2 > 300.49980 > 300.28971 > 1 > CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO > InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/p+1/b15-14+/t17-,18+/m0/s1 > WWUZIQQURGPMPG-KRWOKUGFSA-O $$$$