Marvin 09060512452D 41 41 0 0 1 0 999 V2000 9.5305 -2.4235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8192 -2.8444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5305 -3.2568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5305 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1037 -3.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2460 -2.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5347 -4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2418 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3923 -2.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9616 -3.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0625 -1.1818 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.6768 -3.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3923 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6728 -2.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8875 -1.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0625 -0.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0625 -2.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9655 -2.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3883 -3.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7125 -1.1818 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.2500 -3.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0997 -2.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3883 -4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5332 -1.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7125 -0.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7125 -2.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 -2.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8152 -3.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8231 -3.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5265 -2.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1118 -2.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2421 -3.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3963 -3.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9533 -2.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2421 -4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -2.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9695 -3.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2376 -2.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1037 -2.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 6 0 0 0 2 5 1 1 0 0 0 3 6 1 1 0 0 0 3 7 1 6 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 12 18 1 0 0 0 0 14 19 2 0 0 0 0 15 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 2 0 0 0 0 21 27 2 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 31 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 34 37 2 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 2 3 1 0 0 0 0 1 40 1 1 0 0 0 2 41 1 6 0 0 0 M END > CHEBI:15442 > presqualene diphosphate > A triterpenyl phosphate that is presqualene in which the hydroxy hydrogen has been replaced by a diphosphate group. > 3 > CHEBI:26261; CHEBI:8401; CHEBI:14886 > Presqualene diphosphate; [(1S,2S,3S)-2-[(E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-yl]methyl diphosphate > {(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropan-1-yl}methyl trihydrogen diphosphate > C30H52O7P2 > 586.67720 > 586.31883 > 0 > [H][C@]1(COP(O)(=O)OP(O)(O)=O)[C@]([H])(\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@]1(C)CC\C=C(/C)CCC=C(C)C > InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1 > ATZKAUGGNMSCCY-VYCBRMPGSA-N > C03428 $$$$