LMGP06020039 LIPID_MAPS_STRUCTURE_DATABASE 63 63 0 0 0 999 V2000 -3.2501 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1263 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0028 0.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7437 -0.4313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7566 -0.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4973 0.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8935 0.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1233 0.7943 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4755 0.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1233 1.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6745 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6745 -1.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5507 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 2.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0183 2.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0183 0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9794 0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9794 2.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 3.9141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0377 0.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 -0.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1471 2.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0377 2.7369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3384 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1260 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9135 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7010 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4885 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2761 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0636 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8511 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6387 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4262 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2137 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0013 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7888 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5763 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3639 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1514 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9389 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7265 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.5140 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.3015 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7904 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5780 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3655 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1530 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9406 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7281 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5156 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3032 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0907 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8782 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6657 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4533 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2408 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0283 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8159 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6034 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3909 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1785 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 5 1 0 0 0 0 7 9 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 21 1 1 0 0 0 17 22 1 1 0 0 0 18 23 1 1 0 0 0 20 24 1 6 0 0 0 16 25 1 6 0 0 0 19 8 1 1 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 3 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 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 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > LMGP06020039 > PI O-18:0/22:1(11Z) > 1-octadecyl-2-(11Z-docosenoyl)-glycero-3-phospho-(1'-myo-inositol) > C49H95O12P > 906.66 > Glycerophospholipids [GP] > Glycerophosphoinositols [GP06] > 1-alkyl,2-acylglycerophosphoinositols [GP0602] > - > PI(O-40:1); PI(O-18:0/22:1) > NJLZVTDWMOEIJL-IRYMXYJNSA-N > InChI=1S/C49H95O12P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-43(50)60-42(41-59-62(56,57)61-49-47(54)45(52)44(51)46(53)48(49)55)40-58-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h21-22,42,44-49,51-55H,3-20,23-41H2,1-2H3,(H,56,57)/b22-21-/t42-,44-,45-,46+,47-,48-,49-/m1/s1 > [C@]([H])(OC(CCCCCCCCC/C=C\CCCCCCCCCC)=O)(COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)COCCCCCCCCCCCCCCCCCC > - > - > - > PI O-40:1 > - > - > 52928453 > - > - > - > - > - > - > - $$$$