Ketcher 06092111162D 1 1.00000 0.00000 0 52 54 0 1 0 999 V2000 30.2253 -3.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4172 -2.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9167 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6090 -3.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9178 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5038 -4.7844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0577 -7.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9571 -8.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1926 -8.4185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3276 -7.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4625 -8.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2270 -6.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3276 -6.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2270 -5.4218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4969 -5.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3619 -4.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0921 -3.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7275 -2.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2270 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7264 -2.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3619 -3.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4968 -3.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9571 -3.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9549 -3.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9527 -3.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9560 -2.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9560 -4.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9538 -2.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9538 -4.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9560 -3.4239 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.9538 -3.4239 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.6591 -2.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3306 -4.7844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3317 -5.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3295 -5.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3306 -5.7833 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.3306 -6.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1753 -2.7176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.9177 -3.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5816 -1.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7827 -2.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9177 -4.3849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.5751 -1.9094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.6478 -3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7829 -4.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6478 -4.3847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.5128 -2.8864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8222 -7.9190 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.5524 -7.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4174 -8.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6873 -8.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6873 -9.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 4 32 1 1 0 0 5 4 1 0 0 0 5 33 1 6 0 0 9 7 1 0 0 0 7 8 1 0 0 0 8 48 1 0 0 0 10 9 1 0 0 0 13 10 1 0 0 0 10 11 2 0 0 0 12 14 1 0 0 0 13 12 1 0 0 0 16 14 1 0 0 0 16 15 2 0 0 0 16 21 1 0 0 0 19 17 1 0 0 0 17 23 1 0 0 0 19 18 1 0 0 0 21 19 1 0 0 0 19 20 1 0 0 0 21 22 1 6 0 0 23 30 1 0 0 0 30 24 1 0 0 0 24 31 1 0 0 0 31 25 1 0 0 0 32 25 1 0 0 0 30 26 2 0 0 0 30 27 1 0 0 0 31 28 2 0 0 0 31 29 1 0 0 0 33 36 1 0 0 0 36 34 1 0 0 0 36 35 1 0 0 0 36 37 2 0 0 0 39 38 1 0 0 0 40 38 1 0 0 0 41 39 2 0 0 0 42 39 1 0 0 0 43 40 2 0 0 0 44 41 1 0 0 0 43 41 1 0 0 0 45 42 2 0 0 0 46 44 2 0 0 0 47 44 1 0 0 0 46 45 1 0 0 0 48 51 1 0 0 0 51 49 1 0 0 0 49 50 1 0 0 0 51 52 2 0 0 0 M END > CHEBI:15539 > propionyl-CoA > An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of propionic acid. > 3 > CHEBI:8479; CHEBI:14904; CHEBI:14907; CHEBI:26295 > S-Propionylcoenzyme A; S-Propionyl-coenzym-A; S-propanoyl-coenzyme A; S-propanoyl-CoA; Propionyl-coenzyme A; Propionyl-CoA; Propionyl coenzyme A; propanoyl-coenzyme A; Propanoyl-CoA > 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(propanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) > C24H40N7O17P3S > 823.600 > 823.14143 > 0 > CCC(=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)N1C=NC2=C1N=CN=C2N > InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1 > QAQREVBBADEHPA-IEXPHMLFSA-N > 317-66-8 > 78167 > 317-66-8 > DB02912 > C00100 > 1VU > Propionyl-CoA > 12700259; 12824185; 15514053; 15518551; 1595124; 1819469; 2009071; 23435886; 24206647; 24497638; 24623648; 25398867; 26170412; 27227837; 27377381; 27557613; 27820805; 28189105; 28202954; 28760847; 29033250; 29056341; 29381332; 3003041 $$$$