LMFA07050326 LIPID_MAPS_STRUCTURE_DATABASE 56 58 0 0 0 0 999 V2000 28.6532 -2.8824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.9858 -2.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3983 -3.6670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.3183 -2.8824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.5733 -3.6670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.8832 -4.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9075 -6.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6503 -7.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1930 -7.3359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4786 -6.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7641 -7.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2214 -5.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4786 -6.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2214 -4.8609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7925 -4.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5069 -4.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9359 -3.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8089 -2.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2214 -3.2108 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.6339 -2.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5069 -3.6233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7924 -3.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6503 -3.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3003 -3.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9503 -3.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4753 -2.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4753 -4.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1253 -2.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1253 -4.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4753 -3.2108 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 25.1253 -3.2108 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 26.5337 -2.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0883 -4.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2633 -5.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9133 -5.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0883 -5.1595 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 27.0883 -5.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4378 -2.6275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.0510 -3.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7734 -1.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7654 -2.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0510 -4.0045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.5939 -1.9600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.4799 -3.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7655 -4.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4799 -4.0044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.1943 -2.7669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3648 -6.9234 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.0793 -8.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0793 -7.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7938 -6.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5082 -7.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2227 -6.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9372 -7.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6517 -6.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3662 -7.3359 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 50 1 0 0 0 0 50 49 2 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 M END > LMFA07050326 > Enanthyl-CoA > Heptanoyl-CoA > C28H48N7O17P3S > 879.20 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(heptanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate);C7:0-CoA;enanthyl-CoA;enanthyl-coenzyme A;heptanoyl-CoA > CHVYGJMBUXUTSX-SVHODSNWSA-N > InChI=1S/C28H48N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23+,27-/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(CCCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 37283 > CoA 7:0 > - > - > 11966235 > - > 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] > -; -; -; -; - > - > - $$$$