Chemical Components in the PDB

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1OV : Summary

Code

1OV

One-letter code

X

Molecule name

[(1R)-1-amino-4-carbamimidamidobutyl]phosphonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 [(1R)-1-amino-4-carbamimidamidobutyl]phosphonic acid
OpenEye OEToolkits 1.7.6 [(1R)-1-azanyl-4-carbamimidamido-butyl]phosphonic acid

Formula

C5 H15 N4 O3 P

Formal charge

0

Molecular weight

210.171 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)C(N)CCCNC(=[N@H])N
SMILES CACTVS 3.370 N[CH](CCCNC(N)=N)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(CC(N)P(=O)(O)O)CNC(=N)N
Canonical SMILES CACTVS 3.370 N[C@@H](CCCNC(N)=N)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 [H]/N=C(/N)\NCCC[C@H](N)P(=O)(O)O

IUPAC InChI

InChI=1S/C5H15N4O3P/c6-4(13(10,11)12)2-1-3-9-5(7)8/h4H,1-3,6H2,(H4,7,8,9)(H2,10,11,12)/t4-/m1/s1

IUPAC InChI key

MMEPWCMDQUSOLC-SCSAIBSYSA-N
1OV

wwPDB Information

Atom count

28 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-04-15

Last modified at

2013-06-07

Status

Released

Obsoleted

Not Assigned