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FZN : Summary
Code 
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FZN
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One-letter code
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K
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Molecule name
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(2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid
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Systematic names
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Formula
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C23 H37 N7 O15 P2 S
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Formal charge
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0
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Molecular weight
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745.59 Da
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SMILES
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| Type | Program | Version | Descriptor |
|---|
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SMILES
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ACDLabs |
10.04 |
O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(S\C(=N/CCCCC(C(=O)O)N)C)C(O)C4O |
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SMILES
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CACTVS |
3.341 |
CC(S[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O)=NCCCC[CH](N)C(O)=O |
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SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=NCCCCC(C(=O)O)N)SC1C(C(C(O1)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O)O |
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Canonical SMILES
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CACTVS |
3.341 |
CC(S[C@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)[C@@H](O)[C@H]1O)=NCCCC[C@H](N)C(O)=O |
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Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C/C(=N/CCCC[C@@H](C(=O)O)N)/S[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O |
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IUPAC InChI | InChI=1S/C23H37N7O15P2S/c1-10(26-5-3-2-4-11(24)22(35)36)48-23-18(34)16(32)13(44-23)7-42-47(39,40)45-46(37,38)41-6-12-15(31)17(33)21(43-12)30-9-29-14-19(25)27-8-28-20(14)30/h8-9,11-13,15-18,21,23,31-34H,2-7,24H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H2,25,27,28)/b26-10-/t11-,12+,13+,15+,16+,17+,18+,21+,23+/m0/s1 |
IUPAC InChI key | MURMPVFXCLHZCX-WVAZNDMKSA-N |
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wwPDB Information |
Atom count
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85 (48 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-peptide linking
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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LYS
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Defined at
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2008-06-18
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Last modified at
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2023-11-03
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Status
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Released
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Obsoleted
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Not Assigned
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Protein Data Bank 
