LMFA07050099 LIPID_MAPS_STRUCTURE_DATABASE 75 77 0 0 0 999 V2000 14.7241 -8.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9156 -8.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4153 -9.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1072 -8.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4160 -9.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0027 -10.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5538 -13.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4535 -14.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6884 -14.0581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8232 -13.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9578 -14.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7228 -12.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8232 -12.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7228 -11.0604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9921 -11.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8573 -10.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5882 -9.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 -8.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7228 -9.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2224 -8.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8573 -9.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9921 -9.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4535 -9.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -9.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4504 -9.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4527 -8.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4527 -10.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4512 -8.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4512 -10.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4527 -9.0618 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.4512 -9.0618 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.1570 -8.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8287 -10.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8295 -11.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8279 -11.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8287 -11.4219 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.8287 -12.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6743 -8.3555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4171 -9.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0809 -7.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2824 -8.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4171 -10.0230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0746 -7.5469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1476 -9.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2824 -10.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1476 -10.0230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0129 -8.5242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3188 -13.5585 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1843 -15.0573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1843 -14.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0495 -13.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7803 -13.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6457 -14.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5110 -13.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3763 -14.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2418 -13.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1070 -14.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9723 -13.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8378 -14.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7032 -13.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5685 -14.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5683 -15.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7031 -15.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8376 -15.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9151 -14.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2992 -14.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2992 -15.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4337 -13.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4337 -15.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0300 -14.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0300 -15.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1646 -13.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1646 -15.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9723 -15.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1068 -15.0574 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 1 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 62 63 1 0 0 0 0 63 64 1 0 0 0 0 51 65 1 0 0 0 0 65 52 1 0 0 0 0 68 66 1 0 0 0 0 69 67 1 0 0 0 0 61 68 1 0 0 0 0 62 69 1 0 0 0 0 71 70 2 0 0 0 0 72 70 1 0 0 0 0 73 71 1 0 0 0 0 66 72 1 0 0 0 0 67 73 1 0 0 0 0 64 74 1 0 0 0 0 74 75 1 0 0 0 0 M END > LMFA07050099 > (17Z)-hexacosenoyl-CoA > 17Z-hexacosenoyl-CoA > C47H84N7O17P3S > 1143.49 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (17Z)-hexacosenoyl-coenzyme A;ximenoyl-CoA;ximenoyl-coenzyme A > JVXVVYLDZADSQX-UNLUTKPOSA-N > InChI=1S/C47H84N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h11-12,34-36,40-42,46,57-58H,4-10,13-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/b12-11-/t36-,40-,41-,42+,46-/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(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 74149 > CoA 26:1 > - > SLM:000000610 > 71581067 > - > 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] > -; -; -; -; - > - > - $$$$