| Properties | Image |
|---|
| MNX_ID | MNXM157712 |
 |
| reference | keggD:D08262 |
| formula | C22H30MnN4O14P2 |
| global charge | 0 |
| mol weight | 691.382 |
| InChIKey | QDQFSBKXQQZVTB-UHFFFAOYSA-L |
| InChI | InChI=1S/C22H32N4O14P2.Mn/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32;/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);/q;+2/p-2 |
| SMILES | CC1=NC=C(COP(=O)([O-])[O-])C(CN(CCN(CC(=O)[O-])CC2=C([O-])C(C)=NC=C2COP(=O)([O-])[O-])CC(=O)[O-])=C1[O-].[H+].[H+].[H+].[H+].[H+].[H+].[Mn+2] |
MNX internals
| InChI (mnx) | InChI=1/C22H32N4O14P2.Mn/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32;/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);/q;+2 |
 |
| SMILES (mnx) | [CH3:1][C:13]1=[N:23][CH:5]=[C:15]([CH2:11][O:39][P:41]([OH:33])([OH:34])=[O:35])[C:17]([CH2:7][N:25]([CH2:3][CH2:4][N:26]([CH2:8][C:18]2=[C:22]([OH:32])[C:14]([CH3:2])=[N:24][CH:6]=[C:16]2[CH2:12][O:40][P:42]([OH:36])([OH:37])=[O:38])[CH2:10][C:20](=[O:29])[OH:30])[CH2:9][C:19](=[O:27])[OH:28])=[C:21]1[OH:31].[Mn+2:43] |
|