Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PLP : Summary

Code

PLP

One-letter code

X

Molecule name

PYRIDOXAL-5'-PHOSPHATE

Synonyms

VITAMIN B6 Phosphate

Systematic names

ProgramVersionName
ACDLabs 10.04 (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 (5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methyl dihydrogen phosphate

Formula

C8 H10 N O6 P

Formal charge

0

Molecular weight

247.142 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCc1cnc(c(O)c1C=O)C
SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
SMILES OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
Canonical SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O

IUPAC 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)

IUPAC InChI key

NGVDGCNFYWLIFO-UHFFFAOYSA-N
PLP

wwPDB Information

Atom count

26 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned