LMFA07050177 LIPID_MAPS_STRUCTURE_DATABASE 67 69 0 0 0 0 999 V2000 15.2900 -12.1209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6226 -11.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0351 -12.9055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9551 -12.1209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2101 -12.9055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5200 -13.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5443 -16.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2871 -16.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8298 -16.5744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 -16.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4009 -16.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8582 -14.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 -15.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8582 -14.0994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4293 -14.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1437 -13.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5727 -12.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4457 -11.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8582 -12.4493 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2707 -11.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1437 -12.8618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4292 -12.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2871 -12.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9371 -12.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5871 -12.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1121 -11.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1121 -13.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7621 -11.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7621 -13.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1121 -12.4493 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.7621 -12.4493 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.1705 -11.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7251 -13.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9001 -14.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5501 -14.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7251 -14.3980 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.7251 -15.2230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0746 -11.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6878 -12.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4102 -11.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4022 -12.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6878 -13.2430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2307 -11.1985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1167 -12.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4023 -13.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1167 -13.2429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8311 -12.0054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0016 -16.1619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.8595 -16.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5740 -16.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2884 -16.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7174 -16.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4319 -16.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1463 -16.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5753 -16.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2897 -16.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0042 -16.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4332 -16.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7187 -16.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8608 -16.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0029 -16.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1450 -16.5744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1450 -17.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7161 -16.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7161 -17.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4306 -16.1619 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4306 -15.3369 0.0000 O 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 64 1 0 0 0 0 64 66 1 0 0 0 0 66 62 1 0 0 0 0 62 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 61 1 0 0 0 0 61 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 60 1 0 0 0 0 60 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 59 1 0 0 0 0 59 58 1 0 0 0 0 62 63 1 0 0 0 0 64 65 2 0 0 0 0 66 67 1 0 0 0 0 M END > LMFA07050177 > 2-hydroxy-3-methylhexadecanoyl-CoA > 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(2-hydroxy-3-methylhexadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) > C38H68N7O18P3S > 1035.36 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > S-(2-hydroxy-3-methylhexadecanoyl)-coenzyme A > NOYKDOHWNYIPQD-MYAUCQMWSA-N > InChI=1S/C38H68N7O18P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(2)29(47)37(51)67-20-19-40-27(46)17-18-41-35(50)32(49)38(3,4)22-60-66(57,58)63-65(55,56)59-21-26-31(62-64(52,53)54)30(48)36(61-26)45-24-44-28-33(39)42-23-43-34(28)45/h23-26,29-32,36,47-49H,5-22H2,1-4H3,(H,40,46)(H,41,50)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/t25?,26-,29?,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(=O)C(O)C(C)CCCCCCCCCCCCC)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 49174 > CoA 17:0;O > - > - > 24798718 > - > 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] > -; -; -; -; - > - > - $$$$