ChEBI Marvin 10240615172D 59 61 0 0 1 0 999 V2000 32.6538 -21.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 31.9864 -20.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3989 -21.8971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.3189 -21.1125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.5739 -21.8971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.8838 -22.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9081 -25.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6509 -25.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1936 -25.5660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4792 -25.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7647 -25.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2220 -23.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4792 -24.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2220 -23.0910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7931 -23.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5075 -22.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9365 -21.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8095 -20.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2220 -21.4409 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 25.6345 -20.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5075 -21.8534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7930 -21.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6509 -21.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3009 -21.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9509 -21.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4759 -20.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4759 -22.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1259 -20.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1259 -22.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4759 -21.4409 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 29.1259 -21.4409 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 30.5343 -20.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0889 -22.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2639 -23.3896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9139 -23.3896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0889 -23.3896 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 31.0889 -24.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4384 -20.8576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.0516 -21.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7740 -20.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7660 -20.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0516 -22.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.5945 -20.1901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.4805 -21.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7661 -22.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4805 -22.2345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.1949 -20.9970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.3654 -25.1535 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 28.0799 -26.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0799 -25.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7943 -25.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5088 -25.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2233 -25.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9377 -25.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6522 -25.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3667 -25.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0812 -25.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7956 -25.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5101 -25.1535 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 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 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 M END > CHEBI:28493 > decanoyl-CoA > A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of decanoic acid. > 3 > CHEBI:4348; CHEBI:23575 > Decanoyl-coenzyme A; Decanoyl-CoA; Coenzyme A, S-decanoate; capryl-coenzyme A; capryl-CoA; C10:0-CoA; 10:0-CoA > 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(decanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) > C31H54N7O17P3S > 921.78472 > 921.25098 > 0 > CCCCCCCCCC(=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/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26+,30-/m1/s1 > CNKJPHSEFDPYDB-HSJNEKGZSA-N > 1264-57-9 > 8033370 > 1264-57-9 > C05274 > LMFA07050022 > 1422210; 21175; 2178686; 3729425; 4147365 $$$$