Dataset

2'-Deoxyguanosine 5'-monophosphate

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80266 contains the MS mass spectrum of 2'-Deoxyguanosine 5'-monophosphate with the InChIkey LTFMZDNNPPEQNG-KVQBGUIXSA-N.

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
SMILES	C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O
InChI Key	LTFMZDNNPPEQNG-KVQBGUIXSA-N
Molecular Formula	C10H14N5O7P
Exact Mass	347.063 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80266
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:27:03.739931
MetadataModified	2024-01-11T22:27:03.915412
MetadataPublished	2016-01-19

Field	Value
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.