Ketcher 06151711412D 1 1.00000 0.00000 0 52 51 0 1 0 999 V2000 17.5763 -4.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4443 -5.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8408 -4.7641 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.2376 -5.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3696 -4.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1051 -4.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6339 -4.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7086 -5.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5017 -5.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9730 -5.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7661 -5.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3121 -4.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3697 -6.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6341 -3.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8409 -3.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3696 -7.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2376 -6.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8408 -5.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8983 -4.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0306 -5.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1627 -4.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2950 -5.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 -4.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5018 -6.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6341 -6.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7662 -6.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8986 -6.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0306 -6.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1627 -6.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2951 -6.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4275 -6.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 -3.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2957 -3.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -3.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8986 -7.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0309 -8.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1633 -7.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2957 -8.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4278 -7.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5588 -5.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -4.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5603 -3.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6919 -3.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8227 -5.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9551 -4.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8243 -3.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 -3.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0867 -5.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2192 -4.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0884 -3.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2201 -3.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7664 -8.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 15 3 2 0 0 0 3 18 1 0 0 0 4 17 1 6 0 0 4 5 1 0 0 0 4 6 1 0 0 0 14 7 2 0 0 0 1 8 1 0 0 0 8 3 1 0 0 0 7 9 1 0 0 0 9 5 1 0 0 0 10 6 1 0 0 0 3 10 1 0 0 0 11 7 1 0 0 0 12 2 1 0 0 0 13 17 1 0 0 0 24 13 1 0 0 0 16 13 2 0 0 0 11 19 1 0 0 0 24 25 1 0 0 0 21 20 1 0 0 0 19 20 1 0 0 0 22 21 1 0 0 0 23 22 1 0 0 0 33 32 1 0 0 0 34 33 1 0 0 0 26 25 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 36 35 1 0 0 0 37 36 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 38 37 1 0 0 0 39 31 1 0 0 0 39 38 1 0 0 0 40 23 1 0 0 0 41 40 1 0 0 0 42 34 1 0 0 0 43 42 1 0 0 0 44 41 1 0 0 0 45 44 1 0 0 0 46 43 1 0 0 0 47 46 1 0 0 0 48 45 1 0 0 0 49 48 1 0 0 0 50 47 1 0 0 0 51 49 1 0 0 0 51 50 1 0 0 0 35 52 1 0 0 0 M END > CHEBI:134229 > 1-docosanoyl-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine > A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as docosanoyl and pentadecanoyl respectively. > 3 > phosphatidylethanolamine (37:0); phosphatidylethanolamine (22:0/15:0); PE(37:0); PE(22:0/15:0); 1-behenoyl-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine > (2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl docosanoate > C42H84NO8P > 762.094 > 761.59346 > 0 > C(CN)OP(=O)(O)OC[C@H](OC(CCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCCCC > InChI=1S/C42H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h40H,3-39,43H2,1-2H3,(H,46,47)/t40-/m1/s1 > OHUXILVCUSQMMW-RRHRGVEJSA-N $$$$