Ketcher 08041714222D 1 1.00000 0.00000 0 48 47 0 1 0 999 V2000 14.0508 -4.0701 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.1829 -4.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3148 -4.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4468 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5789 -4.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7109 -4.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4468 -5.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8428 -4.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9749 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0018 -5.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0508 -3.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9188 -4.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3102 -5.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7867 -4.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6546 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5228 -4.0701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3908 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2587 -4.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3908 -5.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1338 -5.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2658 -5.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1267 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9948 -4.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8627 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7306 -4.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5986 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4667 -4.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4667 -3.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5986 -2.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7306 -3.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8627 -2.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3978 -5.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -5.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6619 -5.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 -5.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9258 -5.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0578 -5.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0578 -4.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9258 -3.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 -4.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6619 -3.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -4.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3978 -3.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2658 -4.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9948 -3.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1268 -2.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2588 -3.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3908 -2.5667 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 18 22 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 21 32 1 0 0 0 38 39 1 0 0 0 37 38 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 39 40 1 0 0 0 43 44 1 0 0 0 31 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 28 27 1 0 0 0 M CHG 1 13 -1 M END > CHEBI:137009 > 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-hexadecanoyl)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-O-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-hexadecanoyl)ethanolamine; major species at pH 7.3. > 3 > N-palmitoyl-1-O-(1Z-octadecenyl)-2-hydroxy-sn-glycero-3-phosphoethanolamine(1-); N-palmitoyl-1-(1Z-octadecenyl)-lysoPlsEt(1-); 1-O-(1Z-octadecenyl)-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine; 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-palmitoyl)ethanolamine(1-) > 2-(hexadecanoylamino)ethyl (2R)-2-hydroxy-3-{[(1Z)-octadec-1-en-1-yl]oxy}propyl phosphate > C39H77NO7P > 703.006 > 702.54431 > -1 > P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(OCCNC(CCCCCCCCCCCCCCC)=O)[O-] > InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-45-36-38(41)37-47-48(43,44)46-35-33-40-39(42)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38,41H,3-30,32-33,35-37H2,1-2H3,(H,40,42)(H,43,44)/p-1/b34-31-/t38-/m1/s1 > NRZUNBGUEHDCKK-WBXWDXDJSA-M > 25596343 $$$$