LMFA07050216 LIPID_MAPS_STRUCTURE_DATABASE 76 78 0 0 0 0 999 V2000 14.1802 -3.0358 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5128 -2.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9253 -3.8204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8453 -3.0358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1003 -3.8204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4102 -4.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4345 -7.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1773 -7.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7200 -7.4893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0056 -7.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2911 -7.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -5.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0056 -6.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -5.0143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 -5.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0339 -4.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 -3.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 -2.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -3.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1610 -2.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0339 -3.7767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3195 -3.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1773 -3.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8273 -3.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4773 -3.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0023 -2.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0023 -4.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6523 -2.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6523 -4.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0023 -3.3642 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.6523 -3.3642 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.0607 -2.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6153 -4.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7903 -5.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4403 -5.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6153 -5.3129 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.6153 -6.1379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9648 -2.7809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5781 -3.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3004 -2.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2925 -2.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5781 -4.1579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1210 -2.1134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0069 -3.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2925 -4.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0069 -4.1578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7213 -2.9203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8918 -7.0768 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6064 -8.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6064 -7.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3208 -7.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0352 -7.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7498 -7.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4642 -7.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1786 -7.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8932 -7.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6076 -7.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3221 -7.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0365 -7.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7511 -7.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7511 -8.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0365 -8.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3221 -8.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6077 -8.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8932 -8.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4655 -7.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1799 -7.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1799 -8.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4655 -8.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8945 -7.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6089 -7.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6089 -8.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8945 -8.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1786 -8.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4642 -8.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0352 -8.3143 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 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 1 0 0 0 0 59 60 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 60 66 1 0 0 0 0 66 67 1 0 0 0 0 68 69 1 0 0 0 0 69 61 1 0 0 0 0 67 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 68 1 0 0 0 0 65 74 1 0 0 0 0 74 75 1 0 0 0 0 52 76 1 0 0 0 0 M END > LMFA07050216 > 3-hydroxyhexacosanoyl-CoA > 3S-hydroxyhexacosanoyl-Co > C47H86N7O18P3S > 1161.50 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 3-hydroxyhexacosanoyl-coenzyme A > GBMJOTOUUWGTIA-HSPCTEKSSA-N > InChI=1S/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/t35?,36-,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(CC(O)CCCCCCCCCCCCCCCCCCCCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 64972 > CoA 26:0;O > - > - > 57339307 > - > 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] > -; -; -; -; - > - > - $$$$