Marvin 06071010152D 56 56 0 0 1 0 999 V2000 11.1400 -5.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -6.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -6.0041 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.4255 -6.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4255 -7.2416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7109 -7.6541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7109 -8.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9965 -8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -8.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8543 -8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -7.6541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4255 -8.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4255 -9.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8545 -6.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5668 -6.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2834 -6.4094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9958 -5.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7122 -6.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4247 -5.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1412 -6.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4204 -5.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9965 -7.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8545 -7.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8537 -5.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5701 -6.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2826 -5.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9991 -6.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7114 -5.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4280 -6.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1404 -5.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1364 -5.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4199 -4.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7074 -5.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9910 -4.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2785 -5.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5620 -4.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8496 -5.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2875 -7.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0041 -7.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7164 -7.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0083 -8.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4330 -7.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1454 -7.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8620 -7.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5743 -7.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2910 -7.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0032 -7.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7199 -7.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7241 -8.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0118 -8.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2952 -8.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5828 -8.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8662 -8.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1539 -8.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4373 -8.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7250 -8.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 1 0 0 0 7 12 1 0 0 0 0 7 8 1 1 0 0 0 12 9 1 0 0 0 0 9 11 1 0 0 0 0 9 10 1 1 0 0 0 12 13 1 6 0 0 0 11 23 1 6 0 0 0 3 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 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 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 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 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 55 56 1 0 0 0 0 M END > CHEBI:45120 > 1-O-(1-O-hexadecanoyl-2-O-heptadecanoyl-sn-glycero-3-phosphono)-1D-myo-inositol > A phosphatidylinositol where the 1- and 2-O-acyl groups are hexadecanoyl and heptadecanoyl respectively. > 3 > 2-[(hydroxy{[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1-[(palmitoyloxy)methyl]ethyl heptadecanoate; 1-(1-hexadecanoyl-2-heptadecanoyl-sn-glycero-3-phosphono)-1D-myo-inositol; (2R)-1-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-3-(palmitoyloxy)propan-2-yl heptadecanoate > (2R)-1-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-3-(hexadecanoyloxy)propan-2-yl heptadecanoate > C42H81O13P > 825.05850 > 824.54148 > 0 > CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O > InChI=1S/C42H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)54-34(33-53-56(50,51)55-42-40(48)38(46)37(45)39(47)41(42)49)32-52-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37-42,45-49H,3-33H2,1-2H3,(H,50,51)/t34-,37-,38-,39+,40-,41-,42-/m1/s1 > QVAGJHIIXLLVCI-KSGPIMHQSA-N > 1GZQ > PII $$$$