Dataset

URIDINE5DIPHOSPHATE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P102801_F638 contains the MS2 mass spectrum of URIDINE5DIPHOSPHATE with the InChIkey XCCTYIAWTASOJW-XVFCMESISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
InChI Key XCCTYIAWTASOJW-XVFCMESISA-N
Molecular Formula C9H14N2O12P2
Exact Mass 404.002 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P102801_F638
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:46.462272
MetadataModified 2024-01-11T09:29:46.614861
MetadataPublished 2021-12-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C00015 KEGG Ligand
CHEMBL130266 ChEMBL
17659 ChEBI
UDP PDBe
50118239 BindingDB
50403871 BindingDB
ZINC000004490939 ZINC
247496 Brenda
91822 Brenda
146015339 PubChem
HMDB0000295 Human Metabolome Database
49470 Brenda
21718 Brenda
26 Brenda
128429 Brenda
MTBLC17659 Metabolights
DB03435 DrugBank
J4.595K Nikkaji
1749 Guide to Pharmacology
5G0F599A1Y FDA SRS
6031 PubChem
60021032 NMRShiftDB
PD048470 ProbesDrugs
SCHEMBL4245 SureChEMBL
14806010 PubChem: Thomson Pharma
14854965 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.