Marvin 10181217202D 38 37 0 0 1 0 999 V2000 14.3203 -8.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0348 -9.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8914 -8.9026 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.7480 -9.3151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0335 -8.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4625 -8.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6046 -8.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6058 -9.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4637 -9.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3190 -9.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1769 -9.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8901 -9.3151 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 15.7493 -8.9026 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.0336 -10.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6049 -8.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8914 -8.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7493 -8.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 -11.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7481 -10.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 -10.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8914 -9.7274 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.4637 -8.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6047 -10.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8903 -10.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1758 -10.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4612 -10.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7469 -10.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0323 -10.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3178 -10.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3178 -11.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0323 -11.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7467 -11.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4612 -11.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4612 -12.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1757 -13.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1757 -13.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8901 -14.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8902 -15.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 16 3 2 0 0 0 0 3 21 1 0 0 0 0 4 19 1 6 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 15 7 2 0 0 0 0 1 8 1 0 0 0 0 8 3 1 0 0 0 0 7 10 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 3 11 1 0 0 0 0 12 7 1 0 0 0 0 9 13 1 0 0 0 0 13 2 1 0 0 0 0 17 13 1 0 0 0 0 13 22 1 0 0 0 0 14 19 1 0 0 0 0 20 14 1 0 0 0 0 18 14 2 0 0 0 0 20 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 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 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 29 30 2 0 0 0 0 M CHG 2 13 1 21 -1 M END > CHEBI:60000 > 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine betaine > The conjugate base of a 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine compound formed by deprotonation of the phosphate OH group. > 3 > 1-acyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phosphocholine > C27H49NO8PR > 546.65360 > 546.31958 > 0 > CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](COC([*])=O)COP([O-])(=O)OCC[N+](C)(C)C $$$$