LMFA07050397 LIPID_MAPS_STRUCTURE_DATABASE 62 64 0 0 0 999 V2000 14.5041 -13.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4866 -12.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3437 -12.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2185 -12.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0756 -12.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9502 -12.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8073 -12.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6820 -12.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5392 -12.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4138 -12.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2709 -12.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1456 -12.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0027 -11.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8773 -12.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0626 -7.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2545 -6.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7539 -8.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4463 -7.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7551 -8.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3410 -9.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8951 -12.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7945 -12.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0300 -12.6455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1651 -12.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -12.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0644 -10.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1651 -11.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0644 -9.6489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3344 -9.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1993 -9.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9295 -8.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5650 -6.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0644 -7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5639 -6.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1993 -8.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3342 -7.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7945 -7.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7922 -7.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7900 -7.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7934 -6.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7934 -8.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7911 -6.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7911 -8.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7934 -7.6510 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.7911 -7.6510 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.4963 -6.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1678 -9.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1690 -10.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1667 -10.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1678 -10.0104 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.1678 -11.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0125 -6.9447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7550 -7.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4189 -6.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6199 -7.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7550 -8.6120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4123 -6.1366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4850 -7.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6200 -9.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4850 -8.6118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3500 -7.1135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6596 -12.1461 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 52 1 1 0 0 0 16 15 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 17 20 1 6 0 0 0 18 46 1 1 0 0 0 19 18 1 0 0 0 0 19 47 1 6 0 0 0 23 21 1 0 0 0 0 21 22 1 0 0 0 0 22 62 1 0 0 0 0 24 23 1 0 0 0 0 27 24 1 0 0 0 0 24 25 2 0 0 0 0 26 28 1 0 0 0 0 27 26 1 0 0 0 0 30 28 1 0 0 0 0 30 29 2 0 0 0 0 30 35 1 0 0 0 0 33 31 1 0 0 0 0 31 37 1 0 0 0 0 33 32 1 0 0 0 0 35 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 6 0 0 0 37 44 1 0 0 0 0 44 38 1 0 0 0 0 38 45 1 0 0 0 0 45 39 1 0 0 0 0 46 39 1 0 0 0 0 44 40 2 0 0 0 0 44 41 1 0 0 0 0 45 42 2 0 0 0 0 45 43 1 0 0 0 0 47 50 1 0 0 0 0 50 48 1 0 0 0 0 50 49 1 0 0 0 0 50 51 2 0 0 0 0 53 52 1 0 0 0 0 54 52 1 0 0 0 0 55 53 2 0 0 0 0 56 53 1 0 0 0 0 57 54 2 0 0 0 0 58 55 1 0 0 0 0 57 55 1 0 0 0 0 59 56 2 0 0 0 0 60 58 2 0 0 0 0 61 58 1 0 0 0 0 60 59 1 0 0 0 0 62 2 1 0 0 0 0 M END > LMFA07050397 > Tridecanoyl-CoA > {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tridecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid > C34H60N7O17P3S > 963.30 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > TZKUYUHMJHEXOQ-QYIUPXBKSA-N > InChI=1S/C34H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-25(43)62-18-17-36-24(42)15-16-37-32(46)29(45)34(2,3)20-55-61(52,53)58-60(50,51)54-19-23-28(57-59(47,48)49)27(44)33(56-23)41-22-40-26-30(35)38-21-39-31(26)41/h21-23,27-29,33,44-45H,4-20H2,1-3H3,(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 > O=C(SCCNC(=O)CCNC([C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O1)N1C=NC2C(N)=NC=NC1=2)=O)CCCCCCCCCCCC > - > HMDB0013109 > 85029 > CoA 13:0 > - > - > 86583484 > - > 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] > -; -; -; -; - > - > - $$$$