LMFA07050332 LIPID_MAPS_STRUCTURE_DATABASE 66 68 0 0 0 0 999 V2000 14.0079 -19.7904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3405 -19.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7530 -20.5751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6730 -19.7904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9280 -20.5751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2379 -21.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -23.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0050 -24.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5477 -24.2440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 -23.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 -24.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5761 -22.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 -23.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5761 -21.7690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 -21.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8616 -21.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2906 -20.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1636 -19.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5761 -20.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9886 -19.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8616 -20.5313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1471 -20.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0050 -20.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6550 -20.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3050 -20.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8300 -19.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8300 -20.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4800 -19.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4800 -20.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8300 -20.1188 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.4800 -20.1188 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.8884 -19.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4430 -21.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6180 -22.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2680 -22.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4430 -22.0675 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.4430 -22.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7925 -19.5356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4057 -20.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1281 -18.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1201 -19.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4057 -20.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9486 -18.8681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8346 -20.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1202 -21.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8346 -20.9124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5490 -19.6749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7195 -23.8315 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1485 -23.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8629 -24.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5774 -23.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2919 -24.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0063 -23.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7208 -24.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4353 -23.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1498 -24.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8642 -23.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5787 -24.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2932 -23.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0076 -24.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7221 -23.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4340 -24.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4340 -25.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4366 -24.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1510 -23.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4366 -25.0690 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 61 64 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 M END > LMFA07050332 > isoheptadecanoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C38H68N7O17P3S > 1019.36 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 15-methylhexadecanoyl-CoA;15-methylhexadecanoyl-coenzyme A;isoheptadecanoyl-coenzyme A > AZUNRVWJJVHLJB-DUPKZGIXSA-N > InChI=1S/C38H68N7O17P3S/c1-26(2)16-14-12-10-8-6-5-7-9-11-13-15-17-29(47)66-21-20-40-28(46)18-19-41-36(50)33(49)38(3,4)23-59-65(56,57)62-64(54,55)58-22-27-32(61-63(51,52)53)31(48)37(60-27)45-25-44-30-34(39)42-24-43-35(30)45/h24-27,31-33,37,48-49H,5-23H2,1-4H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t27-,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)CCCCCCCCCCCCCC(C)C)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > HMDB0112247 > 71540 > CoA 17:0 > - > SLM:000000284 > 70680351 > - > 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] > -; -; -; -; - > - > - $$$$