Chemical Components in the PDB

pdbe.org/chem
spacer

0M7 : Summary

Code

0M7

One-letter code

X

Molecule name

[2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid)

Systematic names

ProgramVersionName
ACDLabs 12.01 [2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid)
OpenEye OEToolkits 1.7.6 [2-(pentylamino)-1-phosphono-ethyl]phosphonic acid

Formula

C7 H19 N O6 P2

Formal charge

0

Molecular weight

275.176 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)C(CNCCCCC)P(=O)(O)O
SMILES CACTVS 3.370 CCCCCNCC([P](O)(O)=O)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.6 CCCCCNCC(P(=O)(O)O)P(=O)(O)O
Canonical SMILES CACTVS 3.370 CCCCCNCC([P](O)(O)=O)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CCCCCNCC(P(=O)(O)O)P(=O)(O)O

IUPAC InChI

InChI=1S/C7H19NO6P2/c1-2-3-4-5-8-6-7(15(9,10)11)16(12,13)14/h7-8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)

IUPAC InChI key

YDYMUJPNPOBLGS-UHFFFAOYSA-N
0M7

wwPDB Information

Atom count

35 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-02-28

Last modified at

2013-01-11

Status

Released

Obsoleted

Not Assigned