| Properties | Image |
MNX_ID | MNXM744049 |
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reference | metacycM:THI5-Lys-PLP |
formula | C14H18N3O6P*2 |
global charge | -2 |
mol weight | |
InChIKey | |
InChI | |
SMILES | [*]N[C@@H](CCCC/N=C/C1=C(COP(=O)([O-])[O-])C=NC(C)=C1O)C([*])=O |
MNX internals
InChI (mnx) | InChI=1/C16H26N3O6P/c1-11-16(21)14(13(8-19-11)10-25-26(22,23)24)9-18-7-5-4-6-15(17-3)12(2)20/h8-9,15,17,21H,4-7,10H2,1-3H3,(H2,22,23,24)/b18-9+/t15-/m0/s1/i2+1,3+1 |
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SMILES (mnx) | [CH3:1][C:11]1=[N:19][CH:8]=[C:13]([CH2:10][O:25][P:26]([OH:22])([OH:23])=[O:24])[C:14](/[CH:9]=[N:18]/[CH2:7][CH2:5][CH2:4][CH2:6][C@@H:15]([C:12]([13CH3:2])=[O:20])[NH:17][13CH3:3])=[C:16]1[OH:21] |
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