Dataset

Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS049107 contains the MS2 mass spectrum of Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin with the InChIkey NGVDGCNFYWLIFO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
SMILES CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O
InChI Key NGVDGCNFYWLIFO-UHFFFAOYSA-N
Molecular Formula C8H10NO6P
Exact Mass 247.145 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-RIKEN_ReSpect-PS049107
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:12:49.643936
MetadataModified 2025-02-09T19:06:41.301644
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB00114 DrugBank
C00018 KEGG Ligand
CHEMBL82202 ChEMBL
18405 ChEBI
PLP PDBe
50118216 BindingDB
PYRIDOXAL PHOSPHATE rxnorm
PYRIDOXAL PHOSPHATE ANHYDROUS rxnorm
J10.690I Nikkaji
PYRIDOXAL PHOSPHATE clinicaltrials
5249 Guide to Pharmacology
PYRIDOXAL 5-PHOSPHATE clinicaltrials
ZINC000001532514 ZINC
3506 DrugCentral
DTXSID4048351 EPA CompTox Dashboard
MCULE-8936350631 Mcule
HY-B1744 MedChemExpress
PYRIDOXAL PHOSPHATE DailyMed
1051 PubChem
60021021 NMRShiftDB
PD008883 ProbesDrugs
CB48047867 ChemicalBook
14847611 PubChem: Thomson Pharma
52064-48-9 ACToR
54-47-7 ACToR
F06SGE49M6 FDA SRS
1988700 eMolecules
1564 Brenda
53888 Brenda
51895 Brenda
4558 Brenda
32 Brenda
13475 Brenda
16014 Brenda
122928 Brenda
HMDB0001491 Human Metabolome Database
CB22131140 ChemicalBook
CB0257385 ChemicalBook
MTBLC18405 Metabolights
PA164749650 PharmGKB
SCHEMBL23158 SureChEMBL
The data in this table is sourced from UniChem at EBI.