LMFA07050417 LIPID_MAPS_STRUCTURE_DATABASE 65 67 0 0 0 999 V2000 18.7183 -12.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9100 -12.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4096 -13.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1016 -12.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4105 -13.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9969 -14.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5486 -17.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4482 -18.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6833 -18.3368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8181 -17.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9527 -18.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7176 -16.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8181 -16.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7176 -15.3393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 -15.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8523 -14.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5830 -13.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2181 -12.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7176 -13.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2172 -12.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8523 -13.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9870 -13.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4482 -13.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4464 -13.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4448 -13.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4473 -12.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4473 -14.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4456 -12.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4456 -14.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4473 -13.3408 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.4456 -13.3408 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.1513 -12.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8231 -14.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8239 -15.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8222 -15.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8231 -15.7009 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.8231 -16.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6685 -12.6344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4112 -13.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0750 -11.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2763 -12.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4112 -14.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0686 -11.8260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1417 -13.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2765 -14.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1417 -14.3019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0069 -12.8032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3135 -17.8373 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1787 -19.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1787 -18.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0440 -17.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9150 -18.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7803 -17.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6456 -18.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5108 -17.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3761 -18.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3753 -18.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2406 -17.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1058 -18.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9711 -17.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8364 -18.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7017 -17.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5670 -18.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4323 -17.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2976 -18.3368 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 50 1 0 0 0 0 50 49 2 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 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 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 51 52 1 0 0 0 0 M END > LMFA07050417 > 7Z-hexadecenoyl-CoA > 7Z-hexadecenoyl-CoA > C37H64N7O17P3S > 1003.33 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > MJWMOLDKMBISOB-YDGGZUKGSA-N > InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h11-12,24-26,30-32,36,47-48H,4-10,13-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b12-11-/t26-,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@@H](O)C(=O)NCCC(=O)NCCSC(CCCCC/C=C\CCCCCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 88008 > CoA 16:1 > - > - > 91828289 > - > - > - > - > - > - > - $$$$