Marvin 10060617112D 61 64 0 0 0 0 999 V2000 -1.3850 0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2575 1.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9898 1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9332 0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3539 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 -1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0048 -2.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 -2.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3787 -1.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7992 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1187 0.2014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1264 -1.5100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5641 -1.5176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -2.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1823 1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 0.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -2.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3739 -3.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1698 -3.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -2.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 -3.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1757 -4.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3798 -4.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7939 -5.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5718 0.1938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5619 1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7641 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7939 2.8054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5769 2.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1576 1.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 1.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3396 -2.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1373 -2.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 -1.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0966 -1.3577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5159 -1.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 -2.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1223 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 0.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4984 -0.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7519 -3.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3326 -3.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9689 -4.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5469 -2.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9229 -0.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1329 -1.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9288 -1.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3994 2.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0357 3.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 2.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 2.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9286 2.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7245 2.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7304 3.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9344 3.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3485 3.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 -2.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 -3.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 28 1 2 0 0 0 0 11 1 1 0 0 0 0 2 3 1 0 0 0 0 26 2 1 0 0 0 0 16 2 2 0 0 0 0 3 4 1 0 0 0 0 4 12 1 0 0 0 0 33 4 2 0 0 0 0 5 6 1 0 0 0 0 12 5 1 0 0 0 0 17 5 2 0 0 0 0 6 7 1 0 0 0 0 7 13 1 0 0 0 0 7 34 2 0 0 0 0 8 60 1 0 0 0 0 21 8 2 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 18 9 2 0 0 0 0 10 11 1 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 28 1 0 0 0 0 33 17 1 0 0 0 0 34 21 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 0 0 0 0 16 51 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 44 1 0 0 0 0 44 46 1 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 27 29 1 0 0 0 0 28 27 1 0 0 0 0 29 31 1 0 0 0 0 31 30 1 0 0 0 0 31 32 2 0 0 0 0 33 55 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 38 1 0 0 0 0 38 37 1 0 0 0 0 38 39 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 44 45 2 0 0 0 0 47 49 1 0 0 0 0 49 48 2 0 0 0 0 49 50 1 0 0 0 0 51 53 1 0 0 0 0 53 52 2 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 56 58 1 0 0 0 0 58 57 1 0 0 0 0 58 59 2 0 0 0 0 60 61 1 0 0 0 0 M END > CHEBI:16645 > preuroporphyrinogen > 3 > CHEBI:5809; CHEBI:24716; CHEBI:14423 > preuroporphyrinogen; Hydroxymethylbilane; 3,8,13,18-tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoic acid; 3,8,13,18-tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoic acid; (hydroxymethyl)bilane > 3,8,13,18-tetrakis(carboxymethyl)-19-(hydroxymethyl)bilane-2,7,12,17-tetrapropanoic acid > C40H46N4O17 > 854.81000 > 854.28580 > 0 > OCc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]cc(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O)c(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O > InChI=1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61) > WDFJYRZCZIUBPR-UHFFFAOYSA-N > 1209089 > 73023-76-4 > 71861-60-4 > C01024 > C00007374 $$$$