LMFA07050207 LIPID_MAPS_STRUCTURE_DATABASE 63 65 0 0 0 0 999 V2000 26.8555 -1.5447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.1881 -1.0598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6006 -2.3293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.5206 -1.5447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7756 -2.3293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.0855 -2.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1098 -5.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8526 -5.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3953 -5.9982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6809 -5.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9664 -5.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4237 -4.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6809 -4.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4237 -3.5232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9948 -3.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7092 -3.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1382 -2.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0112 -1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4237 -1.8731 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.8362 -1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7092 -2.2856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9947 -1.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8526 -1.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5026 -1.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1526 -1.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6776 -1.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6776 -2.6981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3276 -1.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3276 -2.6981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6776 -1.8731 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.3276 -1.8731 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.7360 -1.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2906 -2.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4656 -3.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1156 -3.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2906 -3.8218 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 25.2906 -4.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6401 -1.2898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.2533 -1.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9757 -0.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9677 -1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2533 -2.6668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7962 -0.6223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.6822 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9678 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6822 -2.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.3966 -1.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5671 -5.5857 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.2816 -6.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2816 -5.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9961 -5.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4250 -5.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1395 -6.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1395 -5.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8540 -5.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7105 -5.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7105 -5.9982 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.7105 -6.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4250 -7.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4250 -8.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1395 -9.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1395 -8.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8540 -8.0607 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 57 1 0 0 0 0 57 52 1 0 0 0 0 52 54 1 0 0 0 0 54 53 2 0 0 0 0 54 55 1 0 0 0 0 57 56 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 62 2 0 0 0 0 62 61 1 0 0 0 0 62 63 1 0 0 0 0 M END > LMFA07050207 > 3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(carboxymethyl)-3-hydroxy-7-methyloct-6-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C32H52N7O20P3S > 979.22 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > ATTJZXQHBIJXLV-AWVQIHIZSA-N > InChI=1S/C32H52N7O20P3S/c1-18(2)6-5-8-32(47,12-21(41)42)13-22(43)63-11-10-34-20(40)7-9-35-29(46)26(45)31(3,4)15-56-62(53,54)59-61(51,52)55-14-19-25(58-60(48,49)50)24(44)30(57-19)39-17-38-23-27(33)36-16-37-28(23)39/h6,16-17,19,24-26,30,44-45,47H,5,7-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t19-,24-,25-,26+,30-,32?/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(CC/C=C(\C)/C)(O)CC(O)=O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > HMDB0060372 > 15483 > CoA 11:2;O3 > - > - > 11966138 > - > 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] > -; -; -; -; - > - > - $$$$