LMFA07050217 LIPID_MAPS_STRUCTURE_DATABASE 68 70 0 0 0 999 V2000 13.7028 -8.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8947 -8.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3941 -9.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0865 -8.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3952 -9.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9814 -10.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5344 -13.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4339 -14.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6692 -14.2021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -13.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 -14.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7036 -12.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -12.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7036 -11.2051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9733 -11.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8384 -10.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5688 -9.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2041 -8.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7036 -9.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2031 -8.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8384 -9.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9732 -9.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4339 -9.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4319 -9.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4298 -9.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4329 -8.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4329 -10.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4308 -8.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4308 -10.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4329 -9.2070 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.4308 -9.2070 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.1364 -8.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8079 -10.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8088 -11.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8070 -11.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8079 -11.5667 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.8079 -12.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6530 -8.5007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3955 -9.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0594 -7.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2606 -8.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3955 -10.1681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0528 -7.6924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1257 -9.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2606 -10.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1257 -10.1680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9909 -8.6695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2991 -13.7026 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1910 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0571 -13.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9231 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7891 -13.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6551 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5212 -13.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3872 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2532 -13.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1192 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9853 -13.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8513 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7173 -13.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5833 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4494 -13.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3154 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1814 -13.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0474 -14.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1910 -15.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9231 -15.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1814 -12.7000 0.0000 O 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 13 10 1 0 0 0 0 10 9 1 0 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 11 2 0 0 0 0 12 14 1 0 0 0 0 16 14 1 0 0 0 0 13 12 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 21 19 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 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 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 32 25 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 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 49 66 2 0 0 0 51 67 1 0 0 0 64 68 2 0 0 0 48 49 1 0 0 0 M END > LMFA07050217 > 3-Hydroxyhexdecanedioyl-CoA > 16-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-14-hydroxy-16-oxohexadecanoic acid > C37H64N7O20P3S > 1051.31 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > QNUDSTASHBDCFR-QHUUQTGLSA-N > InChI=1S/C37H64N7O20P3S/c1-37(2,32(51)35(52)40-16-15-26(46)39-17-18-68-28(49)19-24(45)13-11-9-7-5-3-4-6-8-10-12-14-27(47)48)21-61-67(58,59)64-66(56,57)60-20-25-31(63-65(53,54)55)30(50)36(62-25)44-23-43-29-33(38)41-22-42-34(29)44/h22-25,30-32,36,45,50-51H,3-21H2,1-2H3,(H,39,46)(H,40,52)(H,47,48)(H,56,57)(H,58,59)(H2,38,41,42)(H2,53,54,55)/t24?,25-,30-,31-,32+,36-/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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCCCCCCCCCCCC(=O)O)O1)N1C=NC2C(N)=NC=NC1=2 > - > HMDB0013187 > - > CoA 16:1;O3 > - > - > 53481644 > - > 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] > -; -; -; -; - > - > - $$$$