Mrv1572004271600372D 70 69 0 0 1 0 999 V2000 26.5243 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2336 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2387 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2387 4.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9532 3.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6677 4.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0914 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6677 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8059 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3822 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5204 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3822 6.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2349 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6677 6.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6677 7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9532 7.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2387 7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5243 7.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8098 7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9493 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8098 6.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0953 6.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6638 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0953 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3783 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3809 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0927 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6664 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8072 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9519 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5217 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2374 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2362 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0940 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 6.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9026 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 5.4138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7276 6.7618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5230 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9506 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1401 7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1401 6.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5230 4.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9506 6.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7276 8.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9651 7.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 8.3013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8401 7.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8085 5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 6.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4901 7.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 7.4763 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 26.5243 3.7638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9532 2.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9532 5.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.0966 5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9532 6.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3822 7.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2387 6.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5243 8.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5243 6.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3809 6.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3809 4.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6664 6.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0940 5.8263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3151 7.4763 0.0000 H 0 0 0 0 0 0 0 0 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 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 23 16 1 0 0 0 0 24 22 1 0 0 0 0 25 24 2 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 2 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 40 37 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 35 1 0 0 0 0 43 36 1 0 0 0 0 44 41 1 0 0 0 0 41 45 1 6 0 0 0 46 42 2 0 0 0 0 47 43 2 0 0 0 0 48 44 2 0 0 0 0 49 44 1 0 0 0 0 52 37 1 0 0 0 0 52 42 1 0 0 0 0 53 38 1 0 0 0 0 54 39 1 0 0 0 0 40 55 1 6 0 0 0 55 43 1 0 0 0 0 56 50 1 0 0 0 0 56 51 2 0 0 0 0 56 53 1 0 0 0 0 56 54 1 0 0 0 0 57 5 1 0 0 0 0 58 7 1 0 0 0 0 59 11 1 0 0 0 0 60 13 1 0 0 0 0 61 17 1 0 0 0 0 62 18 1 0 0 0 0 63 20 1 0 0 0 0 64 21 1 0 0 0 0 65 24 1 0 0 0 0 66 25 1 0 0 0 0 67 29 1 0 0 0 0 68 31 1 0 0 0 0 40 69 1 6 0 0 0 41 70 1 6 0 0 0 M END > CHEM040889 > chemdb > [H]\C(CC)=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCC(=O)OC[C@]([H])(COP(O)(=O)OC[C@]([H])(N)C(O)=O)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C44H74NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,29,31,40-41H,3-4,6,8-10,12,14-16,19,22-23,26-28,30,32-39,45H2,1-2H3,(H,48,49)(H,50,51)/b7-5-,13-11+,18-17+,21-20+,25-24+,31-29+/t40-,41+/m1/s1 > JXLHYMMCWFGINH-UONYRDRESA-N > C44H74NO10P > 808.047 > 807.505034585 > 7 > 130 > 92.40819782455566 > 0 > 3 > 0 > 0 > (2S)-2-amino-3-({[(2R)-3-[(4E,7E,10E,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid > 5.00 > 9.989388815569049 > -7.03 > 0 > 0 > -1 > 2.178396015653344 > 1.468033999170201 > 9.376604467850063 > 171.67999999999998 > 231.1394000000001 > 40 > 0 > 7.49e-05 g/l > (2S)-2-amino-3-{[(2R)-3-[(4E,7E,10E,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid > 0 > PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) $$$$