| Properties | Image |
| MNX_ID | MNXM164950 |
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| reference | metacycM:CPD-18590 |
| formula | C16H28N3O7P |
| global charge | -2 |
| mol weight | 405.388 |
| InChIKey | WOYPKYHYWGAJEK-DRZSPHRISA-L |
| InChI | InChI=1S/C16H30N3O7P/c1-9(2)8-13(16(23)24)19-14(21)10(3)17-15(22)12(18-11(4)20)6-7-27(5,25)26/h9-10,12-13H,6-8H2,1-5H3,(H,17,22)(H,18,20)(H,19,21)(H,23,24)(H,25,26)/p-2/t10-,12-,13-/m0/s1 |
| SMILES | CC(=O)N[C@@H](CCP(C)(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C16H30N3O7P/c1-9(2)8-13(16(23)24)19-14(21)10(3)17-15(22)12(18-11(4)20)6-7-27(5,25)26/h9-10,12-13H,6-8H2,1-5H3,(H,17,22)(H,18,20)(H,19,21)(H,23,24)(H,25,26)/t10-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[CH2:8][C@@H:13]([C:16](=[O:23])[OH:24])[N:19]=[C:14]([C@H:10]([CH3:3])[N:17]=[C:15]([C@H:12]([CH2:6][CH2:7][P:27]([CH3:5])([OH:25])=[O:26])[N:18]=[C:11]([CH3:4])[OH:20])[OH:22])[OH:21] |
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