Fe(III)-[N-(2,3-dihydroxybenzoyl)-L-serine]3

Properties Image MNX_ID MNXM727046 reference chebi:143011 formula C30H22FeN3O16 global charge -4 mol weight 736.356 InChIKey QNAUHHROLOGFEY-UVJOBNTFSA-G InChI InChI=1S/C30H29N3O16.Fe/c34-10-16(31-25(41)13-4-1-7-19(35)22(13)38)29(46)49-12-18(33-27(43)15-6-3-9-21(37)24(15)40)30(47)48-11-17(28(44)45)32-26(42)14-5-2-8-20(36)23(14)39;/h1-9,16-18,34-40H,10-12H2,(H,31,41)(H,32,42)(H,33,43)(H,44,45);/q;+3/p-7/t16-,17-,18-;/m0./s1 SMILES O=C1N[C@H](C(=O)[O-])COC(=O)[C@@H]2COC(=O)[C@H](CO)NC(=O)C3=C4O[Fe-3]56(OC7=CC=CC1=C7O5)(OC4=CC=C3)OC1=CC=CC(=C1O6)C(=O)N2 MNX internals InChI (mnx) InChI=1/C30H29N3O16.Fe/c34-10-16(31-25(41)13-4-1-7-19(35)22(13)38)29(46)49-12-18(33-27(43)15-6-3-9-21(37)24(15)40)30(47)48-11-17(28(44)45)32-26(42)14-5-2-8-20(36)23(14)39;/h1-9,16-18,34-40H,10-12H2,(H,31,41)(H,32,42)(H,33,43)(H,44,45);/q;+3/t16-,17-,18-;/m0./s1 SMILES (mnx) [CH:1]1=[CH:4][C:13]([C:25](=[N:31][C@@H:16]([CH2:10][OH:34])[C:29](=[O:46])[O:49][CH2:12][C@@H:18]([C:30](=[O:47])[O:48][CH2:11][C@@H:17]([C:28](=[O:44])[OH:45])[N:32]=[C:26]([C:14]2=[C:23]([OH:39])[C:20]([OH:36])=[CH:8][CH:2]=[CH:5]2)[OH:42])[N:33]=[C:27]([C:15]2=[C:24]([OH:40])[C:21]([OH:37])=[CH:9][CH:3]=[CH:6]2)[OH:43])[OH:41])=[C:22]([OH:38])[C:19]([OH:35])=[CH:7]1.[Fe+3:50]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 2