Marvin 06141315582D 66 68 0 0 1 0 999 V2000 14.0201 -11.3192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3527 -10.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7652 -12.1039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6852 -11.3192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9402 -12.1039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2501 -12.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 -15.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0172 -15.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5599 -15.7728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8455 -15.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 -15.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5883 -14.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8455 -14.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5883 -13.2978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1594 -13.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8738 -12.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3028 -12.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1758 -10.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5883 -11.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0008 -10.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8738 -12.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1593 -11.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0172 -11.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6672 -11.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3172 -11.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8422 -10.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8422 -12.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4922 -10.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4922 -12.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8422 -11.6476 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.4922 -11.6476 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.9006 -11.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4552 -12.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6302 -13.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2802 -13.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4552 -13.5964 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.4552 -14.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8047 -11.0644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4179 -11.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1403 -10.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1323 -11.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4179 -12.4414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9608 -10.3969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8468 -11.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1324 -12.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8468 -12.4412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5612 -11.2037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7317 -15.3603 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4462 -16.5978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4462 -15.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1607 -15.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5896 -15.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3041 -15.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0185 -15.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7330 -15.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4475 -15.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1620 -15.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8764 -15.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5909 -15.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3054 -15.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0198 -15.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7343 -15.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4488 -15.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1633 -15.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9046 -15.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1607 -14.5353 0.0000 O 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 65 1 0 0 0 0 65 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 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 51 66 1 0 0 0 0 M END > CHEBI:74137 > 2-hydroxyhexadecanoyl-CoA > A hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxypalmitic acid. > 3 > 2-hydroxypalmitoyl-coenzyme A; 2-hydroxypalmitoyl-CoA; 2-hydroxyhexadecanoyl-coenzyme A; 2-hydroxy-C16:0-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C37H66N7O18P3S > 1021.94200 > 1021.33979 > 0 > CCCCCCCCCCCCCCC(O)C(=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/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25(45)36(50)66-20-19-39-27(46)17-18-40-34(49)31(48)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-30(61-63(51,52)53)29(47)35(60-26)44-24-43-28-32(38)41-23-42-33(28)44/h23-26,29-31,35,45,47-48H,4-22H2,1-3H3,(H,39,46)(H,40,49)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t25?,26-,29-,30-,31+,35-/m1/s1 > KCYAHSOGWAZYJF-QGGHQSAPSA-N $$$$