Chemical Components in the PDB

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PMP : Summary

Code

PMP

One-letter code

X

Molecule name

4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE

Synonyms

PYRIDOXAMINE-5'-PHOSPHATE

Systematic names

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

Formula

C8 H13 N2 O5 P

Formal charge

0

Molecular weight

248.173 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCc1cnc(c(O)c1CN)C
SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
SMILES OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
Canonical SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)COP(=O)(O)O)CN)O

IUPAC InChI

InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)

IUPAC InChI key

ZMJGSOSNSPKHNH-UHFFFAOYSA-N
PMP

wwPDB Information

Atom count

29 (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

2020-06-17

Status

Released

Obsoleted

Not Assigned