ChEBI Marvin 10230616162D 64 66 0 0 1 0 999 V2000 32.5569 -3.1762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 31.8895 -2.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3020 -3.9608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.2220 -3.1762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.4770 -3.9608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.7869 -4.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8112 -7.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5540 -7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0967 -7.6297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3823 -7.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6678 -7.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1251 -5.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3823 -6.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1251 -5.1547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6962 -5.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4106 -4.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8396 -3.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7126 -2.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1251 -3.5046 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 25.5376 -2.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4106 -3.9171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6961 -3.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5540 -3.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2040 -3.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8540 -3.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3790 -2.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3790 -4.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0290 -2.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0290 -4.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3790 -3.5046 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 29.0290 -3.5046 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 30.4374 -2.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9920 -4.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1670 -5.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8170 -5.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9920 -5.4533 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 30.9920 -6.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3415 -2.9213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.9547 -3.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6771 -2.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6691 -3.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9547 -4.2983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.4976 -2.2538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.3836 -3.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6692 -4.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3836 -4.2982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.0980 -3.0607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.2685 -7.2172 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 27.9830 -8.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9830 -7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6974 -7.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4119 -8.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4119 -7.6297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.1264 -7.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8408 -7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5553 -7.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2698 -7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9843 -7.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6987 -7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4132 -7.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1277 -7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8421 -7.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5566 -7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2711 -7.2172 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 53 1 0 0 0 0 53 52 1 6 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 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 M END > CHEBI:27466 > (S)-3-hydroxytetradecanoyl-CoA > A long-chain (3S)-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxytetradecanoic acid. > 3 > CHEBI:400; CHEBI:18754 > (S)-3-Hydroxytetradecanoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C35H62N7O18P3S > 993.89044 > 993.30849 > 0 > CCCCCCCCCCC[C@H](O)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/C35H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,43,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t23-,24+,28+,29+,30-,34+/m0/s1 > OXBHKMHNDGRDCZ-STLSENOWSA-N > C05260 $$$$