1'-[1-11-methyldodecanoyl,2-12-methyltetradecanoyl-sn-glycero-3-phospho],3'-[1-11-methyldodecanoyl,2-22-methyltetracosanoyl-sn-glycero-3-phospho]-sn-glycerol CL(i-13:0/a-15:0/i-13:0/a-25:0) Mrv1652308091907422D 97 96 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 15.6089 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6089 -5.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8948 -6.0909 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 13.4878 -9.0019 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 13.8621 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1480 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4339 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7198 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0057 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2915 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5774 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8633 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1492 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4351 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7209 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7209 -10.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 -10.6711 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 58 1 0 0 0 0 13 42 1 0 0 0 0 23 72 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 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 58 59 2 0 0 0 0 58 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 69 71 1 0 0 0 0 72 73 2 0 0 0 0 72 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 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 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 94 95 1 0 0 0 0 94 96 1 0 0 0 0 96 97 1 0 0 0 0 M END > HMDB0086014 > hmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC > InChI=1S/C75H146O17P2/c1-9-67(7)53-45-37-29-21-19-17-15-13-11-12-14-16-18-20-22-31-41-49-57-74(79)91-70(61-85-72(77)55-47-39-33-25-27-35-43-51-65(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-26-28-36-44-52-66(5)6)92-75(80)58-50-42-32-24-23-30-38-46-54-68(8)10-2/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t67?,68?,69-,70-,71-/m1/s1 > OJGCVLLLEVALJJ-LDCDTRRZSA-N > C75H146O17P2 > 1381.924 > 1381.003527237 > 9 > 240 > 167.35874937373 > 0 > 3 > 0 > 0 > [2-hydroxy-3-({hydroxy[(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(22-methyltetracosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propoxy]phosphinic acid > 8.54 > 23.972056116666664 > -7.46 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 379.09409999999997 > 76 > 0 > 4.82e-05 g/l > 2-hydroxy-3-{[hydroxy((2R)-3-[(11-methyldodecanoyl)oxy]-2-[(22-methyltetracosanoyl)oxy]propoxy)phosphoryl]oxy}propoxy((2R)-3-[(11-methyldodecanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propoxy)phosphinic acid > 0 > HMDB0086014 > CL(i-13:0/a-15:0/i-13:0/a-25:0)[rac] $$$$