Dataset
N2-Isobutyryl-2'-deoxyguanosine
Chemical Info
InChI | InChI=1S/C14H19N5O5/c1-6(2)12(22)17-14-16-11-10(13(23)18-14)15-5-19(11)9-3-7(21)8(4-20)24-9/h5-9,20-21H,3-4H2,1-2H3,(H2,16,17,18,22,23)/t7-,8+,9+/m0/s1 |
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SMILES | CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O |
InChI Key | SIDXEQFMTMICKG-DJLDLDEBSA-N |
Molecular Formula | C14H19N5O5 |
Exact Mass | 337.139 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01797 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:27:07.934474 |
MetadataModified | 2024-01-11T22:27:08.094093 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DTXSID90218970 | EPA CompTox Dashboard |
ZINC000000056610 | ZINC |
CB2287368 | ChemicalBook |
135407017 | PubChem |
20206211 | NMRShiftDB |
20211284 | NMRShiftDB |
J599.031I | Nikkaji |
14944651 | PubChem: Thomson Pharma |
16147801 | PubChem: Thomson Pharma |
68892-42-2 | ACToR |
SCHEMBL264545 | SureChEMBL |
29261259 | eMolecules |
523526 | eMolecules |
2741294 | eMolecules |
The data in this table is sourced from UniChem at EBI. |