LMFA07050111 LIPID_MAPS_STRUCTURE_DATABASE 61 63 0 0 0 0 999 V2000 16.4481 -12.1025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7807 -11.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1932 -12.8871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1132 -12.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3682 -12.8871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6781 -13.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7024 -16.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4452 -16.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9879 -16.5560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2735 -16.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5590 -16.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0163 -14.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2735 -15.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0163 -14.0810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5874 -14.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3018 -13.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7308 -12.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6038 -11.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0163 -12.4309 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4288 -11.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3018 -12.8434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5873 -12.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4452 -12.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0952 -12.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7452 -12.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2702 -11.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2702 -13.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9202 -11.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9202 -13.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2702 -12.4309 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.9202 -12.4309 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 14.3286 -11.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8832 -13.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0582 -14.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7082 -14.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8832 -14.3796 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 14.8832 -15.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2327 -11.8476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8459 -12.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5683 -11.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5603 -11.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8459 -13.2246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3888 -11.1801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2748 -12.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5604 -13.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2748 -13.2245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9892 -11.9870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1597 -16.1435 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8741 -17.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8741 -16.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5886 -16.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3031 -16.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0175 -16.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7320 -16.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4465 -16.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2715 -16.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9860 -16.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7004 -16.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4149 -16.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1294 -16.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8438 -16.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 3 6 1 6 0 0 0 4 32 1 1 0 0 0 5 4 1 0 0 0 0 5 33 1 6 0 0 0 9 7 1 0 0 0 0 7 8 1 0 0 0 0 8 48 1 0 0 0 0 10 9 1 0 0 0 0 13 10 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 19 17 1 0 0 0 0 17 23 1 0 0 0 0 19 18 1 0 0 0 0 21 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 6 0 0 0 23 30 1 0 0 0 0 30 24 1 0 0 0 0 24 31 1 0 0 0 0 31 25 1 0 0 0 0 32 25 1 0 0 0 0 30 26 2 0 0 0 0 30 27 1 0 0 0 0 31 28 2 0 0 0 0 31 29 1 0 0 0 0 33 36 1 0 0 0 0 36 34 1 0 0 0 0 36 35 1 0 0 0 0 36 37 2 0 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 39 2 0 0 0 0 42 39 1 0 0 0 0 43 40 2 0 0 0 0 44 41 1 0 0 0 0 43 41 1 0 0 0 0 45 42 2 0 0 0 0 46 44 2 0 0 0 0 47 44 1 0 0 0 0 46 45 1 0 0 0 0 48 50 1 0 0 0 0 50 49 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > LMFA07050111 > (2-trans,6-cis)-dodeca-2,6-dienoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,6Z)-dodeca-2,6-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C33H54N7O17P3S > 945.25 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (2-trans,6-cis)-dodeca-2,6-dienoyl-coenzyme A;(2t,6c)-dodecadienoyl-coenzyme A;(2t,6c)-lauro-2,6-dienoyl-coenzyme A;trans,cis-2,6-laurodienoyl-coenzyme A;trans,cis-lauro-2,6-dienoyl-coenzyme A > - > HMDB0062630 > - > 28387 > - > - > - > - > - > 11966194 > - > - > Active > - > https://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMFA07050111 $$$$