Ketcher 11071716202D 1 1.00000 0.00000 0 44 43 0 1 0 999 V2000 16.4876 -9.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4876 -10.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6218 -9.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7558 -9.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8900 -9.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0239 -9.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1579 -9.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2919 -9.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4260 -9.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5600 -9.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7387 -9.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9690 -7.7489 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.1032 -8.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2371 -7.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3712 -8.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5052 -7.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6394 -8.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3712 -9.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7734 -7.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9690 -6.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8350 -8.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2278 -8.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7009 -7.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5668 -8.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4328 -7.7489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4328 -6.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2988 -8.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2988 -7.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9073 -8.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0414 -7.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1756 -8.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3095 -7.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4435 -8.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5776 -7.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7115 -8.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8456 -7.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8455 -6.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7114 -6.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5776 -6.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4435 -6.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3094 -6.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1753 -6.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0414 -6.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5600 -10.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 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 17 1 0 0 0 15 18 1 6 0 0 17 19 1 0 0 0 12 20 2 0 0 0 12 21 1 0 0 0 12 22 1 0 0 0 21 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 25 28 1 0 0 0 19 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 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 41 42 1 0 0 0 42 43 1 0 0 0 1 18 1 0 0 0 10 44 2 0 0 0 M CHG 2 22 -1 25 1 M END > CHEBI:138940 > 1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine > A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and 8-carboxyoctanoyl respectively. > 3 > PC(O-16:0/9:0(COOH)); azelaoyl PAF; 1-O-hexadecyl-2-nonadioyl-sn-glycero-3-phosphocholine; 1-O-hexadecyl-2-azelaoyl-sn-glycero-3-phosphocholine > (2R)-2-[(8-carboxyoctanoyl)oxy]-3-(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate > C33H66NO9P > 651.853 > 651.44752 > 0 > C(=O)(CCCCCCCC(O)=O)O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COCCCCCCCCCCCCCCCC > InChI=1S/C33H66NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-40-29-31(30-42-44(38,39)41-28-26-34(2,3)4)43-33(37)25-22-19-17-18-21-24-32(35)36/h31H,5-30H2,1-4H3,(H-,35,36,38,39)/t31-/m1/s1 > ZDFOCDTXDPKJKA-WJOKGBTCSA-N > 15471660 > 19104905; 25247479 $$$$