Ketcher 07011611342D 1 1.00000 0.00000 0 50 49 0 1 0 999 V2000 15.4846 -4.4682 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.6179 -4.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7512 -4.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8846 -4.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0183 -4.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1516 -4.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8846 -5.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2850 -4.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4846 -3.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3511 -4.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7433 -5.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2175 -4.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0842 -4.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9508 -4.4682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4140 -4.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4154 -5.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5496 -6.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6829 -5.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6829 -7.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 -6.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 -7.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9498 -5.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0832 -6.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9498 -7.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -7.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -5.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3502 -6.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2168 -7.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3502 -7.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2869 -5.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4863 -6.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5857 -5.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7351 -6.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7351 -7.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1874 -6.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0379 -5.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8885 -6.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7891 -5.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6396 -6.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6396 -7.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5061 -7.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5061 -8.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6395 -9.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6395 -10.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7730 -10.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9064 -10.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0397 -10.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1732 -10.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3066 -10.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4400 -10.4717 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 1 9 2 0 0 0 1 10 1 0 0 0 1 11 1 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 15 8 2 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 18 17 1 0 0 0 20 18 1 0 0 0 21 19 1 0 0 0 22 20 1 0 0 0 23 22 1 0 0 0 24 21 1 0 0 0 25 24 1 0 0 0 26 23 1 0 0 0 27 26 1 0 0 0 28 25 1 0 0 0 29 27 1 0 0 0 29 28 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 7 1 0 0 0 33 34 2 0 0 0 30 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 2 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 2 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 50 1 0 0 0 M END > CHEBI:90474 > 1-(1Z-hexadecenyl)-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phosphoethanolamine > A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z)-hexadecenyl and (8Z,11Z,14Z)-icosatrienoyl respectively. > 3 > phosphoethanolamine (P-16:0/20:3); PE(P-16:0/20:3); PE(P-16:0/20:3(8Z,11Z,14Z)); 1-(1Z-hexadecenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphoethanolamine > (15Z,19R)-25-amino-22-hydroxy-22-oxo-17,21,23-trioxa-22lambda(5)-phosphapentacos-15-en-19-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate > C41H76NO7P > 726.020 > 725.53594 > 0 > P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCC)OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)(OCCN)O > InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,33,36,40H,3-10,12,14-16,18,20,23-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,22-21-,36-33-/t40-/m1/s1 > OFLIDIBZDKQXPD-UKFMZXQISA-N > LMGP02030027 $$$$