LMFA07050171 LIPID_MAPS_STRUCTURE_DATABASE 71 73 0 0 0 999 V2000 17.1654 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2912 -2.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4171 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5428 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6686 -2.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7944 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9202 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0462 -2.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1719 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2977 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4236 -2.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5493 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6752 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 -2.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9267 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0527 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1784 -2.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3043 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 -2.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3182 -2.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1923 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1923 -3.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2876 2.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 3.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9789 2.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6713 2.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 2.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 1.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8799 -1.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9805 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7450 -2.4028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6099 -1.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4750 -2.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7106 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6099 -0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7106 0.5938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4406 0.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5757 1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8455 2.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 3.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7106 2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2111 3.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5757 2.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4408 2.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9805 2.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9828 2.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 2.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9816 3.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9816 1.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 3.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 1.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9816 2.5917 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 2.5917 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 3.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3928 1.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 0.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3928 0.2323 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3928 -0.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 3.2980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 2.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6439 4.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8449 3.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 1.6307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6373 4.1061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7100 2.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8450 1.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7100 1.6309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 3.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1154 -1.9034 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 24 61 1 1 0 0 0 25 24 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 26 29 1 6 0 0 0 27 55 1 1 0 0 0 28 27 1 0 0 0 0 28 56 1 6 0 0 0 32 30 1 0 0 0 0 30 31 1 0 0 0 0 31 71 1 0 0 0 0 33 32 1 0 0 0 0 36 33 1 0 0 0 0 33 34 2 0 0 0 0 35 37 1 0 0 0 0 36 35 1 0 0 0 0 39 37 1 0 0 0 0 39 38 2 0 0 0 0 39 44 1 0 0 0 0 42 40 1 0 0 0 0 40 46 1 0 0 0 0 42 41 1 0 0 0 0 44 42 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 6 0 0 0 46 53 1 0 0 0 0 53 47 1 0 0 0 0 47 54 1 0 0 0 0 54 48 1 0 0 0 0 55 48 1 0 0 0 0 53 49 2 0 0 0 0 53 50 1 0 0 0 0 54 51 2 0 0 0 0 54 52 1 0 0 0 0 56 59 1 0 0 0 0 59 57 1 0 0 0 0 59 58 1 0 0 0 0 59 60 2 0 0 0 0 62 61 1 0 0 0 0 63 61 1 0 0 0 0 64 62 2 0 0 0 0 65 62 1 0 0 0 0 66 63 2 0 0 0 0 67 64 1 0 0 0 0 66 64 1 0 0 0 0 68 65 2 0 0 0 0 69 67 2 0 0 0 0 70 67 1 0 0 0 0 69 68 1 0 0 0 0 71 22 1 0 0 0 0 M END > LMFA07050171 > 2,4,7,10,13,16,19-Docosaheptaenoyl-CoA > {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid > C43H64N7O17P3S > 1075.33 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > HTSMCTDWAPSBNO-XZWNTACVSA-N > InChI=1S/C43H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-23,30-32,36-38,42,53-54H,4,7,10,13,16,19,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20+,23-22+/t32-,36-,37-,38+,42-/m1/s1 > CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C=C/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)=O > - > HMDB0011656 > - > CoA 22:7 > - > - > 53481013 > - > 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] > -; -; -; -; - > - > - $$$$