LMFA07050219 LIPID_MAPS_STRUCTURE_DATABASE 67 69 0 0 0 0 999 V2000 12.2287 -2.2965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5613 -1.8116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9738 -3.0810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8938 -2.2965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1488 -3.0810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4587 -3.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2258 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7685 -6.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0541 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3396 -6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7969 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0541 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7969 -4.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -4.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0824 -3.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5114 -3.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3844 -1.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7969 -2.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2094 -1.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0824 -3.0374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3679 -2.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2258 -2.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8758 -2.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5258 -2.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0508 -1.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0508 -3.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7008 -1.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7008 -3.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0508 -2.6249 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.7008 -2.6249 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.1092 -2.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6638 -3.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8388 -4.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4888 -4.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6638 -4.5735 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.6638 -5.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0133 -2.0415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6265 -2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3489 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3409 -2.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6265 -3.4185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1694 -1.3741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0554 -2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3410 -3.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0554 -3.4185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7698 -2.1810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9403 -6.3375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3693 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0837 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7982 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5127 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2271 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9416 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6561 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3706 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0850 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7995 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5140 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2284 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9429 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6548 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6548 -7.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0837 -7.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6574 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6574 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3718 -6.3375 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 62 1 0 0 0 0 62 49 1 0 0 0 0 49 50 1 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 59 60 1 0 0 0 0 60 61 1 0 0 0 0 62 63 2 0 0 0 0 50 64 1 0 0 0 0 61 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 M END > LMFA07050219 > 3-hydroxyisoheptadecanoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C38H68N7O18P3S > 1035.36 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 3-hydroxy-15-methylhexadecanoyl-CoA;3-hydroxy-15-methylhexadecanoyl-coenzyme A;3-hydroxy-15-methylpalmitoyl-CoA;3-hydroxy-15-methylpalmitoyl-coenzyme A;3-hydroxyisoheptadecanoyl-coenzyme A > UXWUSXRGWGOULX-JKWRZQDASA-N > InChI=1S/C38H68N7O18P3S/c1-25(2)14-12-10-8-6-5-7-9-11-13-15-26(46)20-29(48)67-19-18-40-28(47)16-17-41-36(51)33(50)38(3,4)22-60-66(57,58)63-65(55,56)59-21-27-32(62-64(52,53)54)31(49)37(61-27)45-24-44-30-34(39)42-23-43-35(30)45/h23-27,31-33,37,46,49-50H,5-22H2,1-4H3,(H,40,47)(H,41,51)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/t26?,27-,31-,32-,33+,37-/m1/s1 > [C@@H]1([C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCCCCCCCCCCC(C)C)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 72003 > CoA 17:0;O > - > SLM:000000281 > 70680382 > - > Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110]; Carbocyclic fatty acids [FA0114] > -; -; -; -; - > - > - $$$$