LMFA07050142 LIPID_MAPS_STRUCTURE_DATABASE 68 70 0 0 0 0 999 V2000 14.4851 -3.8147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8176 -3.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2301 -4.5993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1502 -3.8147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4051 -4.5993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7151 -5.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7394 -7.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4822 -8.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0248 -8.2682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3104 -7.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 -8.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0533 -6.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3104 -7.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0533 -5.7932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 -5.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3388 -5.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7678 -4.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6408 -3.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0533 -4.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4658 -3.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3388 -4.5556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6243 -4.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4822 -4.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1322 -4.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7822 -4.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3072 -3.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3072 -4.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9572 -3.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9572 -4.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3072 -4.1431 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.9572 -4.1431 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.3656 -3.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9202 -5.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0952 -6.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7452 -6.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9202 -6.0918 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.9202 -6.9168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2696 -3.5598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8829 -4.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6053 -2.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5973 -3.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8829 -4.9368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4258 -2.8923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3118 -4.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5974 -5.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3118 -4.9367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0262 -3.6992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1966 -7.8557 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9112 -9.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9112 -8.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6257 -7.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3402 -8.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0546 -7.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7691 -8.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4835 -7.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1979 -8.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9125 -7.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6270 -8.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3414 -7.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0559 -8.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7704 -7.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4848 -8.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1992 -7.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6257 -7.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4835 -7.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3414 -7.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1992 -7.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9138 -8.2682 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 2 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 61 62 1 0 0 0 0 62 63 1 0 0 0 0 51 64 1 0 0 0 0 55 65 1 0 0 0 0 59 66 1 0 0 0 0 63 67 1 0 0 0 0 63 68 1 0 0 0 0 M END > LMFA07050142 > (E)-2,3-didehydropristanoyl-CoA > 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-((2E)-2,6,10,14-tetramethylpentadec-2-enoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) > C40H70N7O17P3S > 1045.38 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (E)-2,3-didehydropristanoyl-CoA;trans-2,3-dehydropristanoyl-CoA;trans-2,3-didehydropristanoyl-CoA > WLOASZHRLIOYIA-TXRROMTDSA-N > InChI=1S/C40H70N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h16,23-27,29,32-34,38,49-50H,8-15,17-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/b28-16+/t26?,27?,29-,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(/C(/C)=C/CCC(C)CCCC(C)CCCC(C)C)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > HMDB0062535 > 63803 > CoA 19:1 > - > - > 56927963 > - > 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] > -; -; -; -; - > - > - $$$$