Chemical Components in the PDB

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KPH : Summary

Code

KPH

One-letter code

X

Molecule name

[(1R)-1,5-diaminopentyl]phosphonic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 [(1R)-1,5-diaminopentyl]phosphonic acid
OpenEye OEToolkits 1.5.0 [(1R)-1,5-diaminopentyl]phosphonic acid

Formula

C5 H15 N2 O3 P

Formal charge

0

Molecular weight

182.158 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)C(N)CCCCN
SMILES CACTVS 3.341 NCCCC[CH](N)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CCN)CC(N)P(=O)(O)O
Canonical SMILES CACTVS 3.341 NCCCC[C@H](N)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCN)C[C@H](N)P(=O)(O)O

IUPAC InChI

InChI=1S/C5H15N2O3P/c6-4-2-1-3-5(7)11(8,9)10/h5H,1-4,6-7H2,(H2,8,9,10)/t5-/m1/s1

IUPAC InChI key

LKFHLBGDPDYWSG-RXMQYKEDSA-N
KPH

wwPDB Information

Atom count

26 (11 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