ChEBI Mrv0541 06051412122D 63 67 0 0 0 0 999 V2000 -0.7084 1.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 1.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 0.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0834 0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 -0.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7084 -1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.8579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 0.8579 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8542 -0.8505 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8333 -0.8505 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4584 -2.0379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4584 -2.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 -3.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 -4.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8873 -4.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4584 -4.5129 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0625 1.4620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4584 2.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 3.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 4.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4584 2.0454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 2.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4371 -2.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1514 -3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1511 -4.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8653 -4.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4364 -4.5129 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0208 -1.4546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8458 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 2.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 2.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4379 2.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7236 3.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7239 4.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 4.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4386 4.5204 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4375 2.0454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0208 1.4620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6458 0.7121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0833 -0.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -0.0257 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8458 -1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -2.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 -2.0379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4708 0.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -2.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 2.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 2.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 2.8910 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8874 2.8704 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6458 -0.7046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8875 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 1.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 0.0330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6 24 2 0 0 0 0 7 24 1 0 0 0 0 12 6 1 0 0 0 0 10 6 1 0 0 0 0 11 7 2 0 0 0 0 48 7 1 0 0 0 0 5 10 2 0 0 0 0 12 25 1 0 0 0 0 5 25 1 0 0 0 0 4 5 1 0 0 0 0 3 4 2 0 0 0 0 9 3 1 0 0 0 0 18 3 1 0 0 0 0 2 9 2 0 0 0 0 18 22 1 0 0 0 0 22 2 1 0 0 0 0 23 2 1 0 0 0 0 1 23 2 0 0 0 0 8 1 1 0 0 0 0 40 1 1 0 0 0 0 42 8 1 0 0 0 0 42 41 1 0 0 0 0 41 40 1 0 0 0 0 58 11 1 6 0 0 0 31 58 1 0 0 0 0 31 48 1 0 0 0 0 58 42 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 59 1 6 0 0 0 22 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 57 1 0 0 0 0 48 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 46 1 1 0 0 0 41 32 1 1 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 56 1 0 0 0 0 40 35 1 6 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 44 46 1 0 0 0 0 45 44 1 0 0 0 0 44 43 2 0 0 0 0 48 47 1 1 0 0 0 42 49 1 6 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 22 54 1 6 0 0 0 41 55 1 6 0 0 0 59 60 1 0 0 0 0 60 62 1 0 0 0 0 62 61 2 0 0 0 0 62 63 1 0 0 0 0 M CHG 8 9 1 10 1 11 1 17 -1 30 -1 39 -1 45 -1 56 -1 M CHG 2 57 -1 63 -1 M END > CHEBI:77873 > hydrogenobyrinate(4-) > A precorrin carboxylic acid anion that is the tetraanionic form of hydrogenobyrinic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). > 3 > hydrogenobyrinate > C45H56N4O14 > 876.94670 > 876.38150 > -4 > C\C1=C2\N[C@@](C)([C@@H]3[NH+]=C(\C(C)=C4/[NH+]=C(/C=C5\[NH+]=C1[C@@](C)(CC([O-])=O)[C@@H]5CCC([O-])=O)C(C)(C)[C@@H]4CCC([O-])=O)[C@](C)(CCC([O-])=O)[C@H]3CC([O-])=O)[C@@](C)(CC([O-])=O)[C@@H]2CCC([O-])=O > InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,49H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-4/b27-18-,36-21-,37-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1 > MYMATQFDUQLSCD-IPUCCYEASA-J $$$$