pyridoxal 5-phosphate   

GtoPdb Ligand ID: 5249

Synonyms: P5P | PLP | pyridoxal phosphate
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 126.76
Molecular weight 247.02
XLogP -1.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=Cc1c(COP(=O)(O)O)cnc(c1O)C
Isomeric SMILES O=Cc1c(COP(=O)(O)O)cnc(c1O)C
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)
InChI Key NGVDGCNFYWLIFO-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid
Synonyms
P5P | PLP | pyridoxal phosphate
Database Links
CAS Registry No. 54-47-7
ChEBI CHEBI:18405
ChEMBL Ligand CHEMBL82202
DrugBank Ligand DB00114
DrugCentral Ligand 3506
GtoPdb PubChem SID 178101933
PubChem CID 1051
RCSB PDB Ligand PLP
Search Google for chemical match using the InChIKey NGVDGCNFYWLIFO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NGVDGCNFYWLIFO
Search UniChem for chemical match using the InChIKey NGVDGCNFYWLIFO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NGVDGCNFYWLIFO
Wikipedia Pyridoxal_phosphate