Ketcher 08041714422D 1 1.00000 0.00000 0 50 49 0 0 0 999 V2000 28.1803 -2.1742 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.3125 -2.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4446 -2.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5766 -2.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7088 -2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8408 -2.6754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5766 -3.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9729 -2.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1051 -2.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1319 -3.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1803 -1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0483 -2.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4397 -3.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9161 -2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7840 -2.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6520 -2.1742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.5199 -2.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3878 -2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5199 -3.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2640 -4.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3961 -3.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2557 -2.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1237 -2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9916 -2.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8594 -2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7274 -2.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5953 -2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4632 -2.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3311 -2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3311 -1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4632 -0.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5953 -1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7274 -0.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8594 -1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9916 -0.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5282 -4.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6602 -3.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7924 -4.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9246 -3.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0566 -4.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1887 -3.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1887 -2.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0566 -2.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9246 -2.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7924 -2.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6602 -2.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5282 -2.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3961 -2.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1237 -1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2557 -0.6709 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 4 7 1 6 0 0 6 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 1 11 2 0 0 0 1 12 1 0 0 0 1 13 1 0 0 0 12 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0 20 21 1 0 0 0 10 20 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 18 22 1 0 0 0 30 31 1 0 0 0 29 30 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 31 32 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 21 36 1 0 0 0 42 43 1 0 0 0 41 42 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 43 44 1 0 0 0 47 48 1 0 0 0 49 50 1 0 0 0 35 49 1 0 0 0 M CHG 1 13 -1 M END > CHEBI:137010 > 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-oleoyl)ethanolamine(1-) > A 1-(alk-1Z-enyl)-sn-glycero-3-phospho-(N-acyl)ethanolamine(1−) obtained by deprotonation of the phosphate OH group of 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-oleoyl)ethanolamine; major species at pH 7.3. > 3 > N-oleoyl-1-(1Z-octadecenyl)-lyso-PE(1-); N-oleoyl-1-(1Z-octadecenyl)-2-hydroxy-sn-glycero-3-phosphoethanolamine(1-); 1-O-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-9Z-octadecenoyl)-ethanolamine; 1-(1Z-octadecenyl)-sn-glycero-3-phospho-[N-(Z)-octadec-9-enoyl]ethanolamine(1-) > (2R)-2-hydroxy-3-{[(1Z)-octadec-1-en-1-yl]oxy}propyl 2-{[(9Z)-octadec-9-enoyl]amino}ethyl phosphate > C41H79NO7P > 729.044 > 728.55996 > -1 > P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(OCCNC(CCCCCCC/C=C\CCCCCCCC)=O)[O-] > InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-47-38-40(43)39-49-50(45,46)48-37-35-42-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,33,36,40,43H,3-17,19,21-32,34-35,37-39H2,1-2H3,(H,42,44)(H,45,46)/p-1/b20-18-,36-33-/t40-/m1/s1 > UIBLEFROXMSMHK-QZEVRULJSA-M > 25596343 $$$$