Ketcher 01301811052D 1 1.00000 0.00000 0 53 52 0 1 0 999 V2000 8.4029 -1.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2697 -1.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1367 -1.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0037 -1.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8705 -1.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7375 -1.4936 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.1367 -2.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6044 -1.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7375 -0.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7375 -2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6044 -2.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6044 -3.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4715 -4.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4715 -5.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7376 -4.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5444 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 -1.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8275 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 -1.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1108 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2525 -1.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5444 -0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5186 -1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5018 -2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -3.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9526 -2.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -3.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2357 -2.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 -3.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2151 -1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2151 -2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6518 -1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6518 -3.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5880 -5.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5880 -6.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7047 -7.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7047 -8.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8215 -8.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8216 -9.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9382 -10.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7537 -5.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9045 -11.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7541 -11.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4399 -8.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5565 -8.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5564 -9.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6732 -10.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6457 -11.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0124 -12.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8709 -13.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0292 -11.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7461 -12.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 3 7 1 1 0 0 6 8 1 0 0 0 6 9 2 0 0 0 6 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 12 15 1 6 0 0 17 16 1 0 0 0 1 16 1 0 0 0 23 16 2 0 0 0 18 17 1 0 0 0 18 19 1 0 0 0 20 19 1 0 0 0 20 21 1 0 0 0 22 21 1 0 0 0 22 24 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 25 1 0 0 0 32 31 1 0 0 0 33 31 2 0 0 0 34 32 1 0 0 0 24 33 1 0 0 0 25 34 1 0 0 0 36 35 1 0 0 0 14 35 1 0 0 0 42 35 2 0 0 0 37 36 1 0 0 0 37 38 1 0 0 0 39 38 1 0 0 0 39 40 1 0 0 0 41 40 1 0 0 0 41 43 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 44 1 0 0 0 51 50 1 0 0 0 52 50 2 0 0 0 53 51 1 0 0 0 43 52 1 0 0 0 44 53 1 0 0 0 M CHG 1 8 -1 M END > CHEBI:139150 > (S,S)-bis-(3-oleoylglycero)-1-phosphate(1-) > A 3,3ΚΌ-lysobisphosphatidate obtained by deprotonation of the phosphate OH group of (S,S)-bis-(3-oleoylglycero)-1-phosphate; major species at pH 7.3. > 3 > 3-(9Z-octadecenoyl)-sn-glycero-1-phospho-(3'-(9Z-octadecenoyl)-1'-sn-glycerol); (S,S)-bis-[3-(9Z-octadecenoyl)]-1-phosphate(1-); (S,S)-bis-[3-(9Z-octadecenoyl)-2-lyso-sn-glycero]-1-phosphate(1-); (S,S)-bis-(3-oleoyl-sn-glycero)-1-phosphate(1-); (S,S) 18:1(9Z) BMP(1-) > bis[(2S)-2-hydroxy-3-{[(9Z)-octadec-9-enoyl]oxy}propyl] phosphate > C42H78O10P > 774.038 > 773.53381 > -1 > O(C[C@@H](COP([O-])(=O)OC[C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)O)O)C(CCCCCCC/C=C\CCCCCCCC)=O > InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-35-39(43)37-51-53(47,48)52-38-40(44)36-50-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48)/p-1/b19-17-,20-18-/t39-,40-/m0/s1 > GNCZTBXGLUHKAP-JOZUOZHYSA-M > 21788486 $$$$