Dataset
DEOXYGUANOSINEMONOPHOSPHATE
Chemical Info
InChI | InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 |
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SMILES | NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1 |
InChI Key | LTFMZDNNPPEQNG-KVQBGUIXSA-N |
Molecular Formula | C10H14N5O7P |
Exact Mass | 347.063 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101202_FB57 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:31:57.754250 |
MetadataModified | 2024-01-11T09:31:57.935569 |
MetadataPublished | 2021-12-23 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
C00362 | KEGG Ligand |
DB04457 | DrugBank |
CHEMBL477487 | ChEMBL |
DGP | PDBe |
16192 | ChEBI |
DG | PDBe |
31267396 | eMolecules |
J195.198J | Nikkaji |
SCHEMBL48232 | SureChEMBL |
5122 | Guide to Pharmacology |
7EAM4TG712 | FDA SRS |
60020577 | NMRShiftDB |
14945152 | PubChem: Thomson Pharma |
25656-92-2 | ACToR |
PD006198 | ProbesDrugs |
ZINC000001730395 | ZINC |
CB2692544 | ChemicalBook |
115551 | Brenda |
729 | Brenda |
5276 | Brenda |
2466 | Brenda |
MTBLC16192 | Metabolights |
135398597 | PubChem |
DTXSID20896947 | EPA CompTox Dashboard |
HMDB0001044 | Human Metabolome Database |
The data in this table is sourced from UniChem at EBI. |