| Properties | Image |
|---|
| MNX_ID | MNXM730516 |
 |
| reference | metacycM:CPD0-2124 |
| formula | C25H45FeN6O8 |
| global charge | 3 |
| mol weight | 613.514 |
| InChIKey | QWFYLURKISIKPH-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H45N6O8.Fe/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;/h2-20,26H2,1H3,(H,27,33)(H,28,34);/q-3;+6 |
| SMILES | CC(=O)N1CCCCCNC(=O)CCC(=O)N2CCCCCNC(=O)CCC(=O)N(CCCCCN)O[Fe+3](O1)O2 |
MNX internals
| InChI (mnx) | InChI=1/C25H45N6O8.Fe/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;/h2-20,26H2,1H3,(H,27,33)(H,28,34);/q-3;+6 |
 |
| SMILES (mnx) | [CH3:1][C:21]([N:29]([CH2:18][CH2:9][CH2:3][CH2:6][CH2:16][N:27]=[C:22]([CH2:12][CH2:14][C:25]([N:31]([CH2:20][CH2:10][CH2:4][CH2:7][CH2:17][N:28]=[C:23]([CH2:11][CH2:13][C:24]([N:30]([CH2:19][CH2:8][CH2:2][CH2:5][CH2:15][NH2:26])[O-:38])=[O:35])[OH:34])[O-:39])=[O:36])[OH:33])[O-:37])=[O:32].[Fe+6:40] |
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