1'-[1,2-di11-methyldodecanoyl-sn-glycero-3-phospho],3'-[1-22-methyltetracosanoyl,2-11-methyldodecanoyl-sn-glycero-3-phospho]-sn-glycerol CL(i-13:0/i-13:0/a-25:0/i-13:0) Mrv1652308091905592D 95 94 0 0 0 0 999 V2000 28.9804 -8.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3986 -7.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9260 -6.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4530 -9.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3442 -5.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2255 -7.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5641 -7.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6600 -4.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6989 -5.2740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7376 -4.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6212 -5.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7764 -5.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8928 -6.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4797 -6.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.8475 -4.8685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 29.9761 -5.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8475 -3.5722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9412 -9.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9800 -9.8263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0188 -9.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9024 -9.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0576 -9.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1460 -10.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7329 -10.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1287 -9.3529 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.1287 -8.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7092 -10.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0619 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0619 -4.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3478 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6337 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9195 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2054 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4913 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7772 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0631 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3489 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6348 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9207 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2066 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2066 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1784 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1784 -7.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4643 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7502 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0360 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3219 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6078 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8937 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1796 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4654 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7513 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0372 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3231 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3231 -6.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3431 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3431 -8.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6290 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9149 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2007 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4866 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7725 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0584 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3443 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6301 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9160 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2019 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4878 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7736 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0595 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3454 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6313 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9172 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2030 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4889 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7748 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0607 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3466 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6324 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6324 -10.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9183 -9.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4316 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4316 -11.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7175 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0034 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2892 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5751 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8610 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1469 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4328 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7186 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0045 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2904 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5763 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5763 -11.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 2 7 1 6 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 9 13 1 6 0 0 0 9 14 1 1 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 5 1 0 0 0 0 15 11 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 19 23 1 6 0 0 0 19 24 1 1 0 0 0 25 4 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 21 1 0 0 0 0 12 28 1 0 0 0 0 22 56 1 0 0 0 0 13 42 1 0 0 0 0 23 82 1 0 0 0 0 28 29 2 0 0 0 0 28 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 1 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 39 41 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 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 53 55 1 0 0 0 0 56 57 2 0 0 0 0 56 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 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 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 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 1 0 0 0 0 80 81 1 0 0 0 0 82 83 2 0 0 0 0 82 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 1 0 0 0 0 M END > HMDB0085095 > hmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C > InChI=1S/C73H142O17P2/c1-9-66(8)52-44-36-28-20-18-16-14-12-10-11-13-15-17-19-21-29-37-45-53-70(75)83-59-68(89-72(77)55-47-39-31-23-26-34-42-50-64(4)5)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(90-73(78)56-48-40-32-24-27-35-43-51-65(6)7)60-84-71(76)54-46-38-30-22-25-33-41-49-63(2)3/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68-,69-/m1/s1 > KJDWEYVIPLBKKN-VZZKVGHUSA-N > C73H142O17P2 > 1353.87 > 1352.972227108 > 9 > 234 > 163.1528655200156 > 0 > 3 > 0 > 0 > [(2R)-2,3-bis[(11-methyldodecanoyl)oxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-2-[(11-methyldodecanoyl)oxy]-3-[(22-methyltetracosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 8.37 > 23.082918786666667 > -7.42 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 369.89209999999997 > 74 > 0 > 5.17e-05 g/l > (2R)-2,3-bis[(11-methyldodecanoyl)oxy]propoxy(2-hydroxy-3-{[hydroxy((2R)-2-[(11-methyldodecanoyl)oxy]-3-[(22-methyltetracosanoyl)oxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid > 0 > HMDB0085095 > CL(i-13:0/i-13:0/a-25:0/i-13:0)[rac] $$$$