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RUB : Summary
Code
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RUB
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One-letter code
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X
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Molecule name
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RIBULOSE-1,5-DIPHOSPHATE
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Systematic names
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Formula
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C5 H12 O11 P2
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Formal charge
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0
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Molecular weight
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310.09 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(O)(O)OCC(O)C(O)C(=O)COP(=O)(O)O |
SMILES
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CACTVS |
3.341 |
O[CH](CO[P](O)(O)=O)[CH](O)C(=O)CO[P](O)(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(C(C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O |
Canonical SMILES
|
CACTVS |
3.341 |
O[C@H](CO[P](O)(O)=O)[C@@H](O)C(=O)CO[P](O)(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O |
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IUPAC InChI | InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1 |
IUPAC InChI key | YAHZABJORDUQGO-NQXXGFSBSA-N |
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wwPDB Information |
Atom count
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30 (18 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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SACCHARIDE
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Type code
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ATOMS
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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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