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N7X : Summary
Code ![](/pdbe/static/images/help.png)
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N7X
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One-letter code ![](/pdbe/static/images/help.png)
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C
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Molecule name ![](/pdbe/static/images/help.png)
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5'-O-[(R)-hydroxy(sulfanylidene)-lambda~5~-phosphanyl]-2'-O-(2-methoxyethyl)-5-methylcytidine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C13 H22 N3 O8 P S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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411.368 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C(COC)OC1C(OC(C1O)COP(O)(O)=S)N2C(N=C(C(C)=C2)N)=O |
SMILES
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CACTVS |
3.385 |
COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O[CH]1N2C=C(C)C(=NC2=O)N |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=S)(O)O)O)OCCOC |
Canonical SMILES
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CACTVS |
3.385 |
COCCO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=S)O[C@H]1N2C=C(C)C(=NC2=O)N |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)OCCOC |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H22N3O8PS/c1-7-5-16(13(18)15-11(7)14)12-10(22-4-3-21-2)9(17)8(24-12)6-23-25(19,20)26/h5,8-10,12,17H,3-4,6H2,1-2H3,(H2,14,15,18)(H2,19,20,26)/t8-,9-,10-,12-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | UINDLFLAAYRFRN-DNRKLUKYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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48 (26 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Ribonucleotide
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Type description ![](/pdbe/static/images/help.png)
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RNA linking
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Type code ![](/pdbe/static/images/help.png)
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ATOMN
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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C
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Defined at ![](/pdbe/static/images/help.png)
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2020-02-11
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Last modified at ![](/pdbe/static/images/help.png)
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2021-02-05
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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