Marvin 06121309462D 65 65 0 0 1 0 999 V2000 24.4554 -10.7379 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 23.7411 -9.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0265 -10.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7410 -10.3254 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.7410 -11.1504 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 22.3120 -10.3254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5975 -10.7379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5976 -11.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8829 -10.3254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1685 -10.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5975 -9.0878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5974 -8.2629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8829 -9.5003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1685 -9.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3120 -9.5003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0265 -9.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4540 -10.3253 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.3108 -10.7378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7396 -10.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8818 -10.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5963 -10.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0250 -10.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1674 -10.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4540 -9.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1652 -10.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0230 -10.3253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8796 -10.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7374 -10.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5941 -10.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3086 -10.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -10.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1652 -9.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4508 -10.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0230 -9.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8807 -10.3253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7385 -10.3253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5952 -10.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4530 -10.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 -10.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0241 -10.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8807 -9.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1663 -10.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7385 -9.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5941 -11.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -11.9753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3086 -11.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1663 -11.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0230 -11.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7374 -11.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8807 -11.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5941 -12.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8796 -11.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -12.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3108 -11.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 -11.9753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1674 -11.9753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0241 -11.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8818 -11.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7385 -11.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4530 -11.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5963 -11.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 -12.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5952 -11.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1674 -12.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4540 -11.1503 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 4 2 2 0 0 0 0 4 3 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 9 13 1 0 0 0 0 13 11 1 0 0 0 0 11 15 1 0 0 0 0 6 3 1 1 0 0 0 7 8 1 1 0 0 0 9 10 1 1 0 0 0 11 12 1 1 0 0 0 13 14 1 6 0 0 0 15 16 1 6 0 0 0 19 17 1 0 0 0 0 17 24 2 0 0 0 0 17 10 1 0 0 0 0 18 54 1 1 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 22 19 1 0 0 0 0 21 20 1 0 0 0 0 23 38 1 0 0 0 0 20 23 1 0 0 0 0 27 25 1 0 0 0 0 32 25 1 0 0 0 0 33 25 1 0 0 0 0 30 26 1 0 0 0 0 28 26 1 0 0 0 0 26 34 1 1 0 0 0 29 27 1 0 0 0 0 31 28 1 0 0 0 0 30 29 1 0 0 0 0 37 35 1 0 0 0 0 35 41 1 1 0 0 0 42 35 1 0 0 0 0 40 36 1 0 0 0 0 38 36 1 0 0 0 0 36 43 1 1 0 0 0 39 37 1 0 0 0 0 40 39 1 0 0 0 0 31 42 1 0 0 0 0 46 44 1 0 0 0 0 51 44 1 0 0 0 0 52 44 1 0 0 0 0 49 45 1 0 0 0 0 47 45 1 0 0 0 0 45 53 1 6 0 0 0 48 46 1 0 0 0 0 50 47 1 0 0 0 0 49 48 1 0 0 0 0 57 55 1 0 0 0 0 55 62 1 6 0 0 0 63 55 1 0 0 0 0 60 56 1 0 0 0 0 58 56 1 0 0 0 0 56 64 1 6 0 0 0 59 57 1 0 0 0 0 61 58 1 0 0 0 0 60 59 1 0 0 0 0 54 61 1 0 0 0 0 50 63 1 0 0 0 0 17 65 1 0 0 0 0 M CHG 3 1 -1 5 -1 65 -1 M END > CHEBI:74006 > 1-archaetidyl-1D-myo-inositol 3-phosphate(3-) > An ionic phospholipid obtained by deprotonation of the phosphate OH groups of 1-archaetidyl-1D-myo-inositol 3-phosphate. > 3 > saturated archaetidylinositol 3-phosphate; saturated 1-archaetidyl-1D-myo-inositol 3-phosphate; archaetidylinositol phosphate(3-); AIP > (2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl (1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonatooxy)cyclohexyl phosphate > C49H97O14P2 > 972.23360 > 971.63700 > -3 > CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C > InChI=1S/C49H100O14P2/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-59-33-43(60-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4)34-61-65(57,58)63-49-46(52)44(50)45(51)48(47(49)53)62-64(54,55)56/h35-53H,11-34H2,1-10H3,(H,57,58)(H2,54,55,56)/p-3/t37-,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48-,49+/m1/s1 > ZEUIOZPPYUDCRR-YLALLHFRSA-K > CPD-15255 > 19740749 $$$$