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YYY : Summary
Code
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YYY
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One-letter code
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X
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Molecule name
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DEOXYCYTIDINE DIPHOSPHATE
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Systematic names
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Formula
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C9 H15 N3 O10 P2
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Formal charge
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0
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Molecular weight
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387.177 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)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O |
SMILES
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CACTVS |
3.341 |
NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O2 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P@](O)(=O)O[P](O)(O)=O)O2 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O)O |
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IUPAC InChI | InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 |
IUPAC InChI key | FTDHDKPUHBLBTL-SHYZEUOFSA-N |
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wwPDB Information |
Atom count
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39 (24 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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2006-08-31
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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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