ChEBI Marvin 10240613272D 61 63 0 0 1 0 999 V2000 33.8669 -8.7225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 33.1995 -8.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.6120 -9.5071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.5320 -8.7225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.7870 -9.5071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.0969 -10.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1212 -12.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8640 -13.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4067 -13.1760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.6923 -12.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9778 -13.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4351 -11.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6923 -11.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4351 -10.7010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.0062 -10.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7206 -10.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1496 -9.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0226 -8.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4351 -9.0509 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 26.8476 -8.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7206 -9.4634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0061 -9.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8640 -9.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5140 -9.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1640 -9.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6890 -8.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6890 -9.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3390 -8.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3390 -9.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6890 -9.0509 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 30.3390 -9.0509 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 31.7474 -8.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3020 -10.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4770 -10.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1270 -10.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3020 -10.9996 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 32.3020 -11.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.6515 -8.4676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.2647 -9.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9871 -7.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9791 -8.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2647 -9.8446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.8076 -7.8001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.6936 -9.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9792 -10.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6936 -9.8445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.4080 -8.6070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.5785 -12.7635 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 29.2930 -14.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2930 -13.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0074 -12.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7219 -13.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5469 -13.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2614 -12.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9758 -13.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8008 -13.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5153 -12.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2298 -13.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9442 -12.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6587 -13.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3732 -12.7635 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 1 0 0 0 0 52 53 2 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 > CHEBI:28002 > (3Z,6Z)-dodecadienoyl-CoA > A medium-chain unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cis,cis-dodeca-3,6-dienoic acid. > 3 > CHEBI:23257; CHEBI:10450 > cis,cis-dodeca-3,6-dienoyl-coenzyme A; cis,cis-dodeca-3,6-dienoyl-CoA; cis,cis-3,6-dodecadienoyl-coenzyme A; cis,cis-3,6-Dodecadienoyl-CoA; (3Z,6Z)-dodecadienoyl-CoA(4-)cis,cis-dodeca-3,6-dienoyl-coenzyme A > 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z,6Z)-dodeca-3,6-dienoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C33H54N7O17P3S > 945.80612 > 945.25098 > 0 > CCCCC\C=C/C\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 > InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,11-12,20-22,26-28,32,43-44H,4-7,10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b9-8-,12-11-/t22-,26-,27-,28+,32-/m1/s1 > KEPSPLQXVPROMK-ASJCJLDXSA-N > C05280 $$$$