LMFA07050061 LIPID_MAPS_STRUCTURE_DATABASE 69 71 0 0 0 999 V2000 28.9092 10.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2122 10.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2122 9.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0452 11.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8841 10.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7227 11.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5613 10.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3999 11.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2384 10.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0771 11.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9156 11.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7543 10.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5928 11.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4313 11.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2699 10.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1085 11.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9471 10.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7857 11.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6244 10.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4628 11.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3014 10.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6876 16.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8795 16.8225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3789 15.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0713 16.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3801 15.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9660 14.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5201 11.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4195 10.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6550 10.8434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7901 11.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 10.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 12.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7901 12.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 13.8399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9594 13.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8243 14.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5545 15.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 16.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 15.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1889 16.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8243 15.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9592 15.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4195 15.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4172 15.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4150 15.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4184 16.8368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4184 14.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4161 16.8368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4161 14.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4184 15.8378 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.4161 15.8378 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.1213 16.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7928 14.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7940 13.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7917 13.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7928 13.4785 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.7928 12.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 16.5442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3800 15.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0439 17.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2449 16.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3800 14.8769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0373 17.3523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1100 15.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2450 14.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1100 14.8771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9750 16.3754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2846 11.3428 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 59 1 1 0 0 23 22 1 0 0 0 24 22 1 0 0 0 25 23 1 0 0 0 26 24 1 0 0 0 24 27 1 6 0 0 25 53 1 1 0 0 26 25 1 0 0 0 26 54 1 6 0 0 30 28 1 0 0 0 28 29 1 0 0 0 29 69 1 0 0 0 31 30 1 0 0 0 34 31 1 0 0 0 31 32 2 0 0 0 33 35 1 0 0 0 34 33 1 0 0 0 37 35 1 0 0 0 37 36 2 0 0 0 37 42 1 0 0 0 40 38 1 0 0 0 38 44 1 0 0 0 40 39 1 0 0 0 42 40 1 0 0 0 40 41 1 0 0 0 42 43 1 6 0 0 44 51 1 0 0 0 51 45 1 0 0 0 45 52 1 0 0 0 52 46 1 0 0 0 53 46 1 0 0 0 51 47 2 0 0 0 51 48 1 0 0 0 52 49 2 0 0 0 52 50 1 0 0 0 54 57 1 0 0 0 57 55 1 0 0 0 57 56 1 0 0 0 57 58 2 0 0 0 60 59 1 0 0 0 61 59 1 0 0 0 62 60 2 0 0 0 63 60 1 0 0 0 64 61 2 0 0 0 65 62 1 0 0 0 64 62 1 0 0 0 66 63 2 0 0 0 67 65 2 0 0 0 68 65 1 0 0 0 67 66 1 0 0 0 2 69 1 0 0 0 0 21 1 1 0 0 0 0 M END > LMFA07050061 > CoA(20:2(8Z,11Z)) > 8Z,11Z-eicosadienoyl-CoA > C41H70N7O17P3S > 1057.38 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > IDZIQDSITPCMGI-YJDSXOKISA-N > InChI=1S/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,14-15,28-30,34-36,40,51-52H,4-10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1 > CCCCCCCC/C=C\C/C=C\CCCCCCC(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 > - > HMDB0062246 > 82742 > CoA 20:2 > - > - > 86289622 > - > 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] > -; -; -; -; - > - > - $$$$