Cholesteryl palmitoleate.mol Mrv0541 02231218402D 45 48 0 0 0 0 999 V2000 -0.4997 -1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4997 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2142 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9286 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6431 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3576 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0721 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7865 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5010 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2155 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2155 -1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9299 -1.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9299 -2.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6444 -3.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6444 -3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3589 -4.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2142 -1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2148 -1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 -1.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 -1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0727 -1.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7871 -1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7871 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2862 -0.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2862 0.9081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5412 1.6927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3380 1.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5516 2.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3485 2.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5620 3.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3589 3.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9786 4.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9578 2.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 0.6531 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5878 1.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7871 1.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0727 0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0727 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 -0.5844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3582 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 1 17 2 0 0 0 0 1 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 31 38 1 6 0 0 0 30 39 1 0 0 0 0 27 39 1 0 0 0 0 39 40 1 1 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 26 43 1 0 0 0 0 43 44 1 0 0 0 0 21 44 1 0 0 0 0 23 44 1 0 0 0 0 44 45 1 1 0 0 0 18 19 1 0 0 0 0 M END > BMDB0000658 > bmdb > CCCCCC\C=C/CCCCCCCC(=O)OC1CC[C@@]2(C)C(=CCC3C4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1 > InChI=1S/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12-/t34-,36?,37?,38-,39?,40?,42+,43-/m1/s1 > HODJWNWCVNUPAQ-FSAOOAOSSA-N > C43H74O2 > 623.0465 > 622.568881612 > 1 > 82.89067320116743 > 0 > 0 > 0 > 0 > (2R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (9Z)-hexadec-9-enoate > 10.44 > 13.672021276333334 > -8.03 > 1 > 4 > 0 > -7.042198548687182 > 26.3 > 195.32450000000006 > 20 > 0 > 5.78e-06 g/l > cholesteryl palmitoleate > 0 > BMDB0000658 > CE(16:1(9Z)) > (Z)-Cholesterol 9-hexadecenoate; (Z)-Cholesterol 9-hexadecenoic acid; 1-palmitoleoyl-cholesterol; 16:1(9Z) cholesterol ester; CE(16:1); CE(16:1/0:0); CE(16:1n7/0:0); CE(16:1w7/0:0); cholest-5-en-3beta-yl (9Z hexadecenoate; cholest-5-en-3beta-yl (9Z hexadecenoate); cholest-5-en-3beta-yl (9Z hexadecenoic acid; cholesterol 1-(9Z-hexadecenoate; cholesterol 1-(9Z-hexadecenoate); cholesterol 1-(9Z-hexadecenoic acid; cholesterol 1-(9Z-hexadecenoic acid); cholesterol 1-palmitoleoate; cholesterol 1-palmitoleoic acid; Cholesterol Ester(16:1); Cholesterol Ester(16:1/0:0); Cholesterol Ester(16:1n7/0:0); Cholesterol Ester(16:1w7/0:0); Cholesterol palmitoleate; cholesteryl 1-(9Z-hexadecenoate; cholesteryl 1-(9Z-hexadecenoate); cholesteryl 1-(9Z-hexadecenoic acid; cholesteryl 1-(9Z-hexadecenoic acid); cholesteryl 1-palmitoleoate; cholesteryl 1-palmitoleoic acid; Cholesteryl cis-hexadecenoate; Cholesteryl cis-hexadecenoic acid; Cholesteryl palmitoleat; Cholesteryl palmitoleate; Cholesteryl palmitoleic acid $$$$