LMFA07050285 LIPID_MAPS_STRUCTURE_DATABASE 69 71 0 0 0 0 0 0 0 0999 V2000 3.2317 1.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4234 2.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 1.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9238 0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0384 -3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8034 -3.8727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6686 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5339 -3.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 -1.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6686 -2.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 -0.8753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4995 -0.8753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6343 -0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9036 0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2686 1.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 1.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2694 1.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6343 0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4996 1.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0384 1.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0401 1.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 1.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0393 2.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0393 0.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 2.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 0.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0393 1.1232 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 1.1232 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.6648 1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3365 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3373 -1.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -1.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3365 -1.2369 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.3365 -2.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 1.8296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9246 1.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5884 2.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7898 1.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9246 0.1619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5821 2.6380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6551 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7899 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6551 0.1620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5204 1.6608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1731 -3.3732 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4425 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5772 -3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2881 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1535 -3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0187 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3078 -3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3078 -4.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7493 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7485 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6137 -3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4782 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3435 -3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2089 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2080 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0733 -3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9386 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8039 -3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6691 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5345 -3.8727 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 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 48 55 1 0 0 0 0 55 49 1 0 0 0 0 49 50 1 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 57 1 0 0 0 0 55 56 2 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 M END > LMFA07050285 > CoA 20:3(5Z,8Z,11Z) > 8Z,11Z,14Z-eicosatrienoyl-CoA > C41H68N7O17P3S > 1055.36 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (8Z,11Z,14Z)-eicosatrienoyl-coenzyme A;all-cis-icosa-8,11,14-trienoyl-CoA;8Z,11Z,14Z-icosatrienoyl-CoA;CoA[20:3(8Z,11Z,14Z)];all-cis-eicosa-8,11,14-trienoyl-CoA;all-cis-eicosa-8,11,14-trienoyl-coenzyme A;all-cis-icosa-8,11,14-trienoyl-CoA;all-cis-icosa-8,11,14-trienoyl-coenzyme A > FJWJALRUNNZIBB-DDQUOPDJSA-N > InChI=1S/C41H68N7O17P3S/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/h8-9,11-12,14-15,28-30,34-36,40,51-52H,4-7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/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)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)O1)N1C=NC2C(N)=NC=NC1=2 > - > HMDB0003947 > 27979 > CoA 20:3 > - > - > 11966190 > - > Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103] > - > - > - $$$$