Ketcher 11021713442D 1 1.00000 0.00000 0 45 44 0 1 0 999 V2000 17.6940 -3.5057 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.8269 -4.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9597 -3.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0926 -4.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2255 -3.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3583 -4.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0926 -5.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4913 -3.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6940 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5612 -4.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9531 -4.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4282 -3.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2954 -4.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1628 -3.5057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1628 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0296 -4.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0296 -3.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6241 -4.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7568 -3.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8896 -4.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0225 -3.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1554 -4.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2882 -3.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -4.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5538 -3.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4913 -2.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2254 -5.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2254 -6.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3582 -5.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4913 -5.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6241 -5.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7568 -5.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8943 -3.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7616 -4.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8943 -2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7616 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6288 -2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4958 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3631 -2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2303 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0974 -2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8896 -5.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0224 -5.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 -5.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2879 -5.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 4 7 1 6 0 0 6 8 1 0 0 0 1 9 2 0 0 0 1 10 1 0 0 0 1 11 1 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 14 17 1 0 0 0 8 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 8 26 2 0 0 0 7 27 1 0 0 0 27 28 2 0 0 0 27 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 33 34 1 0 0 0 34 25 1 0 0 0 33 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 32 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 M CHG 2 11 -1 14 1 M END > CHEBI:138214 > 1-octadecanoyl-2-nonanoyl-sn-glycero-3-phosphocholine > A phosphatidylcholine 27:0 in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and nonanoyl respectively. > 3 > phosphatidylcholine 18:0/9:0; PC(18:0/9:0); 1-stearoyl-2-nonanoyl-sn-glycero-3-phosphocholine zwitterion; 1-octadecanoyl-2-nonanoyl-sn-glycero-3-phosphocholine > (2R)-2-(nonanoyloxy)-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate > C35H70NO8P > 663.907 > 663.48391 > 0 > P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCCC)(=O)(OCC[N+](C)(C)C)[O-] > InChI=1S/C35H70NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-24-25-27-34(37)41-31-33(44-35(38)28-26-23-13-11-9-7-2)32-43-45(39,40)42-30-29-36(3,4)5/h33H,6-32H2,1-5H3/t33-/m1/s1 > CLUNFPZKGTYNMF-MGBGTMOVSA-N > 21926997 $$$$