LMFA07050335 LIPID_MAPS_STRUCTURE_DATABASE 62 64 0 0 0 0 999 V2000 13.4074 -3.4594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7400 -2.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1525 -4.2440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0725 -3.4594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3275 -4.2440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6374 -4.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6617 -7.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4045 -7.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9473 -7.9129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2329 -7.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5183 -7.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9756 -6.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2329 -6.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9756 -5.4379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5467 -5.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 -5.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6901 -4.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5631 -3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9756 -3.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3881 -3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 -4.2003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5466 -3.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4045 -3.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0545 -3.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7045 -3.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2295 -2.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2295 -4.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8795 -2.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8795 -4.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2295 -3.7878 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.8795 -3.7878 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.2879 -3.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8425 -4.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0175 -5.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6675 -5.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8425 -5.7365 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.8425 -6.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1920 -3.2045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8052 -3.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5276 -2.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5196 -3.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8052 -4.5815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3481 -2.5370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2341 -3.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5197 -4.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2341 -4.5814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9485 -3.3439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 -7.5004 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5480 -7.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2624 -7.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9769 -7.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6914 -7.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4058 -7.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1204 -7.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8348 -7.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5493 -7.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2637 -7.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9782 -7.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6927 -7.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8335 -7.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8335 -8.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9782 -8.7379 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 60 1 0 0 0 0 60 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 60 61 2 0 0 0 0 58 62 1 0 0 0 0 M END > LMFA07050335 > isotridecanoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(11-methyldodecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C34H60N7O17P3S > 963.30 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 11-methyldodecanoyl-CoA;11-methyldodecanoyl-coenzyme A;isotridecanoyl-coenzyme A > SAZRNJMTRRCRJX-QYIUPXBKSA-N > InChI=1S/C34H60N7O17P3S/c1-22(2)12-10-8-6-5-7-9-11-13-25(43)62-17-16-36-24(42)14-15-37-32(46)29(45)34(3,4)19-55-61(52,53)58-60(50,51)54-18-23-28(57-59(47,48)49)27(44)33(56-23)41-21-40-26-30(35)38-20-39-31(26)41/h20-23,27-29,33,44-45H,5-19H2,1-4H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t23-,27-,28-,29+,33-/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)CCCCCCCCCC(C)C)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > HMDB0112243 > 71437 > CoA 13:0 > - > SLM:000000275 > 70680281 > - > 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] > -; -; -; -; - > - > - $$$$