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DCF : Summary
Code
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DCF
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One-letter code
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X
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Molecule name
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2'-DEOXYCOFORMYCIN
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Systematic names
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Formula
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C11 H16 N4 O4
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Formal charge
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0
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Molecular weight
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268.269 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
n2c1c(N=CNCC1O)n(c2)C3OC(C(O)C3)CO |
SMILES
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CACTVS |
3.341 |
OC[CH]1O[CH](C[CH]1O)n2cnc3[CH](O)CNC=Nc23 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc2c(n1C3CC(C(O3)CO)O)N=CNCC2O |
Canonical SMILES
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CACTVS |
3.341 |
OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3[C@H](O)CNC=Nc23 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC[C@H]2O |
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IUPAC InChI | InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1 |
IUPAC InChI key | FPVKHBSQESCIEP-JQCXWYLXSA-N |
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wwPDB Information |
Atom count
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35 (19 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2011-06-04
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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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