LMFA07050356 LIPID_MAPS_STRUCTURE_DATABASE 67 69 0 0 0 999 V2000 18.7182 -12.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9099 -12.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4095 -13.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1015 -12.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4104 -13.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9968 -14.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5486 -17.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4482 -18.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6833 -18.3367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8181 -17.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9527 -18.3367 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 -16.8380 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 16.8230 -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 17.8221 -15.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8230 -15.7009 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.8230 -16.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6684 -12.6344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4111 -13.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0749 -11.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2762 -12.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4111 -14.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0685 -11.8260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1416 -13.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2764 -14.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1416 -14.3019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0068 -12.8032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3135 -17.8372 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1787 -19.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1787 -18.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0440 -17.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9093 -18.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7746 -17.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6399 -18.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5052 -17.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3705 -18.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2357 -17.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1010 -18.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1002 -18.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9655 -17.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8307 -18.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6960 -17.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5613 -18.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4267 -17.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2919 -18.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1572 -17.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0225 -18.3367 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 51 52 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 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 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 65 66 1 0 0 0 0 66 67 1 0 0 0 0 M END > LMFA07050356 > oleoyl-CoA > 9Z-octadecenoyl-CoA > C39H68N7O17P3S > 1031.36 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (9Z)-octadec-9-enoyl-CoA;(9Z)-octadec-9-enoyl-coenzyme A;Oleoyl-coenzyme A;S-Oleoylcoenzyme A;S-[(9Z)-octadec-9-enoyl]-CoA;S-[(9Z)-octadec-9-enoyl]-coenzyme A;S-oleoyl-CoA;cis-9-octadecenoyl-CoA;cis-9-octadecenoyl-coenzyme A;cis-Delta(9)-octadecenoyl-CoA;cis-Delta(9)-octadecenoyl-coenzyme A > XDUHQPOXLUAVEE-BPMMELMSSA-N > InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/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(CCCCCCC/C=C\CCCCCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > C00510 > HMDB0001322 > 15534 > CoA 18:1 > - > SLM:000000419 > 5497111 > - > 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] > -; -; -; -; - > - > - $$$$