LMFA07050466 LIPID_MAPS_STRUCTURE_DATABASE 59 61 0 0 0 999 V2000 11.5729 -14.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7644 -13.5797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2643 -15.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9561 -14.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2650 -15.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8513 -15.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 -19.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3028 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5379 -19.5605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 -19.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 -19.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 -17.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 -18.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 -16.5631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8419 -16.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -16.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -15.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0729 -13.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 -14.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0719 -13.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -15.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -14.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3028 -14.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3012 -14.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2995 -14.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3022 -13.5656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3022 -15.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3003 -13.5656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3003 -15.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3022 -14.5647 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.3003 -14.5647 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.0060 -13.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6776 -15.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6786 -16.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6768 -16.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6776 -16.9247 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.6776 -17.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5230 -13.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2657 -14.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9295 -12.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1310 -14.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2657 -15.5258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9234 -13.0498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9962 -14.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1311 -16.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9962 -15.5257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8615 -14.0272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1682 -19.0608 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0335 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8986 -19.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0335 -20.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7702 -19.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6356 -19.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6345 -19.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 -19.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3650 -19.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3640 -19.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2294 -19.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0948 -19.0357 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 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 50 52 2 0 0 0 0 M END > LMFA07050466 > 2E,4Z,7Z-decatrienoyl-CoA > 2E,4Z,7Z-decatrienoyl-CoA > C31H48N7O17P3S > 915.20 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > PIWBOAMNPNENCR-DRJHSFDESA-N > InChI=1S/C31H48N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h5-6,8-11,18-20,24-26,30,41-42H,4,7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b6-5-,9-8-,11-10+/t20-,24-,25-,26+,30-/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(=O)/C=C/C=C\C/C=C\CC)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 10:3 > - > - > 171118893 > - > - > - > - > - > - > - $$$$