an [allophycocyanin alpha-subunit]-Cys84-phycocyanobilin

Properties Image MNX_ID MNXM148889 reference metacycM:Alpha-Allophycocyanins-PCB84 formula C36H41N5O7S*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CSC(C)C1/C(=C/C2=C(C)C(CCC(=O)[O-])=C(/C=C3\N=C(/C=C4\NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)[O-])N2)NC(=O)[C@@H]1C)C([*])=O MNX internals InChI (mnx) InChI=1/C38H49N5O7S/c1-9-24-18(2)29(42-38(24)50)14-27-19(3)25(10-12-34(45)46)30(40-27)16-31-26(11-13-35(47)48)20(4)28(41-31)15-32-36(21(5)37(49)43-32)23(7)51-17-33(39-8)22(6)44/h14-16,21,23,33,36,39,41H,9-13,17H2,1-8H3,(H,42,50)(H,43,49)(H,45,46)(H,47,48)/b29-14-,30-16-,32-15-/t21-,23?,33+,36?/m1/s1/i6+1,8+1 SMILES (mnx) [CH3:1][CH2:9][C:24]1=[C:18]([CH3:2])/[C:29](=[CH:14]/[C:27]2=[N:40]/[C:30](=[CH:16]\[C:31]3=[C:26]([CH2:11][CH2:13][C:35](=[O:47])[OH:48])[C:20]([CH3:4])=[C:28](/[CH:15]=[C:32]4/[CH:36]([CH:23]([CH3:7])[S:51][CH2:17][C@@H:33]([C:22]([13CH3:6])=[O:44])[NH:39][13CH3:8])[C@@H:21]([CH3:5])[C:37]([OH:49])=[N:43]4)[NH:41]3)[C:25]([CH2:10][CH2:12][C:34](=[O:45])[OH:46])=[C:19]2[CH3:3])[N:42]=[C:38]1[OH:50]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0