Ketcher 11251912122D 1 1.00000 0.00000 0 36 38 0 0 0 999 V2000 8.6284 3.8956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6284 2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7624 2.3956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7622 1.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6284 0.8955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4943 1.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4943 2.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4454 2.7045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0334 1.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4454 1.0864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7545 0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1666 -0.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7543 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7054 -1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5145 -1.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7056 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5145 0.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4452 -2.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5793 -3.9340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5793 -2.9340 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.5793 -1.9340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7133 -2.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4452 -2.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2501 -2.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3841 -2.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9823 -2.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1162 -2.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 -2.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8674 -3.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -2.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -2.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -2.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0801 -2.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 -2.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8121 -2.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6782 -2.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 2 7 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 10 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 11 10 1 1 0 0 11 12 1 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 13 23 1 1 0 0 13 14 1 0 0 0 14 15 1 6 0 0 14 16 1 0 0 0 16 17 1 6 0 0 18 20 1 0 0 0 20 19 2 0 0 0 20 22 1 0 0 0 20 21 1 0 0 0 23 18 1 0 0 0 25 24 1 0 0 0 27 26 1 0 0 0 24 27 1 0 0 0 26 28 1 0 0 0 28 29 2 0 0 0 28 22 1 0 0 0 25 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 M END > CHEBI:84312 > dodecanoyl-AMP > A fatty acyl-AMP that results from the formal condensation of the phosphoryl group of AMP with the carboxyl group of dodecanoic (lauric) acid. > 3 > lauroyl-AMP; lauroyl adenylate; dodecanoyl adenylate > 5'-O-[(dodecanoyloxy)(hydroxy)phosphoryl]adenosine > C22H36N5O8P > 529.531 > 529.23015 > 0 > NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC(CCCCCCCCCCC)=O)O)[C@@H](O)[C@H]3O > InChI=1S/C22H36N5O8P/c1-2-3-4-5-6-7-8-9-10-11-16(28)35-36(31,32)33-12-15-18(29)19(30)22(34-15)27-14-26-17-20(23)24-13-25-21(17)27/h13-15,18-19,22,29-30H,2-12H2,1H3,(H,31,32)(H2,23,24,25)/t15-,18-,19-,22-/m1/s1 > IKBWVSPLSBIYSK-CIVUBGFFSA-N > 1ZZ > 21185305; 23625916 $$$$