PI(16:0/20:4(5Z,8Z,11Z,14Z)) Mrv1652303062020222D 59 59 0 0 0 0 999 V2000 10020.820210011.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10020.104210012.3368 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10019.390510011.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10018.676610012.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10017.962910011.9268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10017.249110012.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10016.535310011.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10017.962910011.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10020.517410013.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10019.693310013.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10022.245710011.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10023.675310011.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10020.820210013.5748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10022.245710014.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10023.675310013.5748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10022.247010011.9249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10022.961310012.3374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10022.961310013.1622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10022.247010013.5745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10021.532710013.1622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10021.532710012.3374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10015.821810012.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10015.821810013.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10015.107610011.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10014.393510012.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10013.679410011.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10012.965310012.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10012.251210011.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10011.537010012.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10010.822910011.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10010.108810012.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10009.394710011.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.680610012.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10007.966410011.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10007.252310012.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10006.538210011.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.824110012.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.110010011.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10017.248410010.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10017.248410009.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10016.534310011.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10015.820210010.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10015.106010011.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10014.391910010.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10013.566910010.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10012.852810011.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10012.138710010.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10011.313710010.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10010.599610011.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10009.885410010.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10009.060410010.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.346310011.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10007.632210010.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10006.807210010.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10006.093110011.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.379010010.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10004.664810011.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.950710010.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.236610011.1016 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 2 9 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 6 0 0 0 6 7 1 0 0 0 0 16 17 1 0 0 0 0 16 21 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 21 1 0 0 0 0 21 1 1 6 0 0 0 16 11 1 1 0 0 0 17 12 1 6 0 0 0 18 15 1 1 0 0 0 19 14 1 6 0 0 0 20 13 1 6 0 0 0 8 39 1 0 0 0 0 7 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 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 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 39 40 2 0 0 0 0 39 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 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 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 M END > BMDB0009789 > bmdb > CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,37,40-45,48-52H,3-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,53,54)/b13-11-,18-17-,22-20-,28-26-/t37-,40-,41-,42+,43-,44-,45-/m1/s1 > KIQYUSYSJTUGFZ-LSLODQAYSA-N > C45H79O13P > 859.088 > 858.525829602 > 9 > 138 > 99.25243401735761 > 0 > 6 > 0 > 0 > [(2R)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 7.03 > 9.324643923333337 > -6.12 > 0 > 1 > -1 > 12.360530531715522 > 1.8332552462030662 > -3.6458130204247565 > 209.50999999999996 > 233.43820000000005 > 38 > 0 > 6.52e-04 g/l > (2R)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy([(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid > 0 > BMDB0009789 > PI(16:0/20:4(5Z,8Z,11Z,14Z)) $$$$