Dataset

Didanosine

This MassBank record with Accession MSBNK-Waters-WA000423 contains the MS mass spectrum of Didanosine with the InChIkey BXZVVICBKDXVGW-NKWVEPMBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
SMILES OCC(C3)OC(C3)n(c2)c(n1)c(n2)c(O)nc1
InChI Key BXZVVICBKDXVGW-NKWVEPMBSA-N
Molecular Formula C10H12N4O3
Exact Mass 236.091 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000423
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:19.559832
MetadataModified 2024-01-11T22:48:19.722153
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1460 ChEMBL
490877 ChEBI
SAM001246673 NIH Clinical Collection
12014245 PubChem: Drugs of the Future
2DI PDBe
C06953 KEGG Ligand
DB00900 DrugBank
901757 eMolecules
1986517 eMolecules
2724662 eMolecules
30075948 eMolecules
MCULE-2844514954 Mcule
NSC-612049 clinicaltrials
DIDANOSINE clinicaltrials
BMY-40900 clinicaltrials
DIDANOSINE rxnorm
VIDEX rxnorm
VIDEX EC rxnorm
DIDANOSINE DailyMed
HY-B0249 MedChemExpress
DTXSID6022927 EPA CompTox Dashboard
869 DrugCentral
ZINC000013597823 ZINC
50404252 BindingDB
51621 Brenda
124179 Brenda
14441 Brenda
PA449301 PharmGKB
HMDB0015037 Human Metabolome Database
1813 Brenda
K3GDH6OH08 FDA SRS
135398739 PubChem
didanosine DailyMed
CB0680765 ChemicalBook
148764 Brenda
CUYDOQ CCDC
J261.930J Nikkaji
4833 Guide to Pharmacology
15196316 PubChem: Thomson Pharma
PD003179 ProbesDrugs
LSM-6017 LINCS
69655-05-6 ACToR
14847321 PubChem: Thomson Pharma
Didanosine(Videx) Selleck
15121787 PubChem: Thomson Pharma
15121788 PubChem: Thomson Pharma
SCHEMBL3363 SureChEMBL
The data in this table is sourced from UniChem at EBI.