Ketcher 07021516102D 1 1.00000 0.00000 0 39 38 0 1 0 999 V2000 12.9843 -3.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1011 -4.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1011 -5.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2182 -5.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2181 -6.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3352 -7.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3354 -8.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4523 -8.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2672 -3.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4183 -9.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2678 -10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9528 -6.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0695 -7.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0695 -8.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1865 -8.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1592 -9.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5266 -10.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3847 -11.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5436 -9.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2599 -10.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1203 -11.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3174 -2.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1841 -2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5841 -2.0861 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.9842 -2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1175 -2.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8507 -2.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3841 -2.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4506 -2.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9173 -2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2507 -2.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7173 -2.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5175 -2.5864 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 19.0508 -2.0861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3844 -1.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5842 -1.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0508 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5841 -3.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9174 -1.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 1 2 1 0 0 0 9 2 2 0 0 0 4 3 1 0 0 0 4 5 1 0 0 0 6 5 1 0 0 0 6 7 1 0 0 0 8 7 1 0 0 0 8 10 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 11 1 0 0 0 18 17 1 0 0 0 19 17 2 0 0 0 20 18 1 0 0 0 10 19 1 0 0 0 11 20 1 0 0 0 20 21 1 6 0 0 23 22 1 0 0 0 36 24 2 0 0 0 24 38 1 0 0 0 25 1 1 6 0 0 25 26 1 0 0 0 25 27 1 0 0 0 35 28 2 0 0 0 22 29 1 0 0 0 29 24 1 0 0 0 28 31 1 0 0 0 31 26 1 0 0 0 32 27 1 0 0 0 24 32 1 0 0 0 33 28 1 0 0 0 30 34 1 0 0 0 34 23 1 0 0 0 37 34 1 0 0 0 34 39 1 0 0 0 M CHG 2 34 1 38 -1 M END > CHEBI:57982 > 1-acyl-2-[(S)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine > A 1,2-diacyl-sn-glycero 3-phosphocholine in which the acyl group at position 1 is unspecified while that at position 2 is specified as (S)-12-hydroxyoleoyl. > 3 > 1-acyl-2-[(S)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine betaines; 1-acyl-2-((S)-12-hydroxyoleoyl)-sn-glycero-3-phosphocholine > C27H51NO9PR > 564.670 > 564.33014 > 0 > CCCCCC[C@H](O)C\C=C/CCCCCCCC(=O)O[C@H](COC([*])=O)COP([O-])(=O)OCC[N+](C)(C)C $$$$